4-[4-(trifluoromethoxy)phenyl]benzoate

C14H8F3O3- — CID 7016769

IUPAC4-[4-(trifluoromethoxy)phenyl]benzoate
SMILESO=C([O-])c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C14H9F3O3/c15-14(16,17)20-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(18)19/h1-8H,(H,18,19)/p-1
InChIKeyYZWGBLHLQLDTMZ-UHFFFAOYSA-M
MW281.21 g/mol
LogP2.62
Rot. Bonds3

About 4-[4-(trifluoromethoxy)phenyl]benzoate

4-[4-(trifluoromethoxy)phenyl]benzoate (PubChem CID 7016769) has the molecular formula C14H8F3O3- and a molecular weight of 281.21 g/mol. Its IUPAC name is 4-[4-(trifluoromethoxy)phenyl]benzoate.

Molecular Properties

Compound Name4-[4-(trifluoromethoxy)phenyl]benzoate
PubChem CID7016769
Molecular FormulaC14H8F3O3-
Molecular Weight281.21 g/mol
Exact Mass281.04
IUPAC Name4-[4-(trifluoromethoxy)phenyl]benzoate
SMILESO=C([O-])c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C14H9F3O3/c15-14(16,17)20-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(18)19/h1-8H,(H,18,19)/p-1
InChIKeyYZWGBLHLQLDTMZ-UHFFFAOYSA-M
XLogP2.62
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.21
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
(4-phenylphenyl) 4-(trifluoromethoxy)benzoate
CID 7926515
CID 59303798
CID 59303798
phosphanyl-[4-(trifluoromethoxy)phenyl]methanone
CID 170761962
2-chloro-2,2-difluoro-1-[4-(trifluoromethoxy)phenyl]ethanone
CID 19915312
pyridine;4-[4-(trifluoromethoxy)phenyl]benzamide
CID 155075156
3-fluoro-5-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228260
(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 3021169
1,6-bis[4-(trifluoromethoxy)phenyl]hexane-1,6-dione
CID 10502949
N-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 126431501
3-chloro-5-[4-(trifluoromethoxy)phenyl]benzoyl chloride
CID 134629860
2-nitro-4-[4-(trifluoromethoxy)phenyl]phenol
CID 53221716

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethoxy)phenyl]benzoate?
The IUPAC name of 4-[4-(trifluoromethoxy)phenyl]benzoate (CID 7016769) is 4-[4-(trifluoromethoxy)phenyl]benzoate.
What is the SMILES notation for 4-[4-(trifluoromethoxy)phenyl]benzoate?
The canonical SMILES for 4-[4-(trifluoromethoxy)phenyl]benzoate is O=C([O-])c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[4-(trifluoromethoxy)phenyl]benzoate?
The InChIKey is YZWGBLHLQLDTMZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H9F3O3/c15-14(16,17)20-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(18)19/h1-8H,(H,18,19)/p-1.
What are the key properties of 4-[4-(trifluoromethoxy)phenyl]benzoate?
4-[4-(trifluoromethoxy)phenyl]benzoate has a molecular weight of 281.21 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethoxy)phenyl]benzoate is sourced from PubChem (CID 7016769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).