3-[3-(trifluoromethyl)phenyl]benzoate

C14H8F3O2- — CID 7021706

IUPAC3-[3-(trifluoromethyl)phenyl]benzoate
SMILESO=C([O-])c1cccc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H9F3O2/c15-14(16,17)12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(18)19/h1-8H,(H,18,19)/p-1
InChIKeyHCHDDXZTEVLXTP-UHFFFAOYSA-M
MW265.21 g/mol
LogP2.74
Rot. Bonds2

About 3-[3-(trifluoromethyl)phenyl]benzoate

3-[3-(trifluoromethyl)phenyl]benzoate (PubChem CID 7021706) has the molecular formula C14H8F3O2- and a molecular weight of 265.21 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]benzoate.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]benzoate
PubChem CID7021706
Molecular FormulaC14H8F3O2-
Molecular Weight265.21 g/mol
Exact Mass265.05
IUPAC Name3-[3-(trifluoromethyl)phenyl]benzoate
SMILESO=C([O-])c1cccc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H9F3O2/c15-14(16,17)12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(18)19/h1-8H,(H,18,19)/p-1
InChIKeyHCHDDXZTEVLXTP-UHFFFAOYSA-M
XLogP2.74
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]benzamide
CID 166329824
2-methyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 94301681
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 3458292
CID 131866586
CID 131866586
methyl 4-[3-(trifluoromethyl)phenyl]benzoate
CID 1393419
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethanone
CID 159329806
5-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazole-3-carboxylate
CID 23365075
2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 87086730
benzene-1,3-dicarboxylate;lead(2+)
CID 56842371

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]benzoate?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]benzoate (CID 7021706) is 3-[3-(trifluoromethyl)phenyl]benzoate.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]benzoate?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]benzoate is O=C([O-])c1cccc(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]benzoate?
The InChIKey is HCHDDXZTEVLXTP-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H9F3O2/c15-14(16,17)12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(18)19/h1-8H,(H,18,19)/p-1.
What are the key properties of 3-[3-(trifluoromethyl)phenyl]benzoate?
3-[3-(trifluoromethyl)phenyl]benzoate has a molecular weight of 265.21 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]benzoate is sourced from PubChem (CID 7021706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).