Chemical ID: 4195701

c1ccc(c(c1)c2cc([nH]n2)C(F)(F)F)O
Chemical ID:
4195701
Name [?]:
2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILES [?]:
c1ccc(c(c1)c2cc([nH]n2)C(F)(F)F)O
InChi [?]:
InChI=1/C10H7F3N2O/c11-10(12,13)9-5-7(14-15-9)6-3-1-2-4-8(6)16/h1-5,16H,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,8,5,7,4,9,12,13,14,15,11,10,16/E:(11,12,13)/rA:16nCCCCCCCCCNNCFFFO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d7s10;s9;s12;s12;s12;s4;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7F3N2O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.68469
Area:361.795
Solvation:-3.3602
Coulombic:-44.9857
Bond Count [?]
All:17
Single:12
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:228.171
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.18
LogP (Chemaxon):2.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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