Chemical ID: 6475974

c1cc(c(cc1C(F)(F)F)NC(=O)C2CC2C(=O)O)F
Chemical ID:
6475974
Name [?]:
2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILES [?]:
c1cc(c(cc1C(F)(F)F)NC(=O)C2CC2C(=O)O)F
InChi [?]:
InChI=1/C12H9F4NO3/c13-8-2-1-5(12(14,15)16)3-9(8)17-10(18)6-4-7(6)11(19)20/h1-3,6-7H,4H2,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,5,15,6,14,16,3,4,12,17,7,20,8,9,10,11,13,18,19/E:(14,15,16)(19,20)/rA:20cCCCCCCCFFFNCOCCCCOOF/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s4;s11;d12;s12;s14;s14s15;s16;d17;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9F4NO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:5.70104
Area:420.424
Solvation:-4.80957
Coulombic:-66.5408
Bond Count [?]
All:21
Single:16
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:291.198
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.62
LogP (Chemaxon):1.76

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