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Chemical ID: 4212375

c1ccc(cc1)C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O

Chemical ID:

4212375

Name [?]:

N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]benzamide

SMILES [?]:

c1ccc(cc1)C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O

InChi [?]:

InChI=1/C16H11F6NO2/c17-15(18,19)14(25,16(20,21)22)11-6-8-12(9-7-11)23-13(24)10-4-2-1-3-5-10/h1-9,25H,(H,23,24)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,12,14,11,15,4,13,10,7,16,17,21,18,19,20,22,23,24,9,8,25/E:(2,3)(4,5)(6,7)(8,9)(15,16)(17,18,19,20,21,22)/rA:25nCCCCCCCONCCCCCCCCFFFCFFFO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;s17;s17;s16;s21;s21;s21;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₁F₆NO₂
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	8.68638
Area:	486.135
Solvation:	-3.46699
Coulombic:	-76.8802

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	363.254
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	4.82
LogP (Chemaxon):	4.32

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value