Chemical ID: 4115125

c1c(cc(cc1C(F)(F)F)F)C=CC(=O)O
Chemical ID:
4115125
Name [?]:
3-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-enoic acid
SMILES [?]:
c1c(cc(cc1C(F)(F)F)F)C=CC(=O)O
InChi [?]:
InChI=1/C10H6F4O2/c11-8-4-6(1-2-9(15)16)3-7(5-8)10(12,13)14/h1-5H,(H,15,16)
InChi Info:
AuxInfo=1/1/N:12,13,1,3,5,2,6,4,14,7,11,8,9,10,15,16/E:(12,13,14)(15,16)/rA:16nCCCCCCCFFFFCCCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s4;s2;w12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H6F4O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.44411
Area:353.557
Solvation:-3.39481
Coulombic:-49.0019
Bond Count [?]
All:16
Single:11
Double:5
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:234.147
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.99
LogP (Chemaxon):3.18

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Descriptor Annotations

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