(4-chlorophenyl)methyl 4-(trifluoromethyl)benzoate

C15H10ClF3O2 — CID 599354

IUPAC(4-chlorophenyl)methyl 4-(trifluoromethyl)benzoate
SMILESO=C(OCc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10ClF3O2/c16-13-7-1-10(2-8-13)9-21-14(20)11-3-5-12(6-4-11)15(17,18)19/h1-8H,9H2
InChIKeyFMEFOXYOIZUCEP-UHFFFAOYSA-N
MW314.69 g/mol
LogP4.72
Rot. Bonds3

About (4-chlorophenyl)methyl 4-(trifluoromethyl)benzoate

(4-chlorophenyl)methyl 4-(trifluoromethyl)benzoate (PubChem CID 599354) has the molecular formula C15H10ClF3O2 and a molecular weight of 314.69 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 4-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 4-(trifluoromethyl)benzoate
PubChem CID599354
Molecular FormulaC15H10ClF3O2
Molecular Weight314.69 g/mol
Exact Mass314.03
IUPAC Name(4-chlorophenyl)methyl 4-(trifluoromethyl)benzoate
SMILESO=C(OCc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10ClF3O2/c16-13-7-1-10(2-8-13)9-21-14(20)11-3-5-12(6-4-11)15(17,18)19/h1-8H,9H2
InChIKeyFMEFOXYOIZUCEP-UHFFFAOYSA-N
XLogP4.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(trifluoromethyl)phenyl]methyl 4-tert-butylbenzoate
CID 2743784
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 7838369
2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 63411309
(4-chlorophenyl)methyl 4-cyanobenzoate
CID 2592542
(4-chlorophenyl)methyl 4-(2-hydroxyethylamino)benzoate
CID 63221701
(4-chlorophenyl)methyl 3,4-dichlorobenzoate
CID 977859
(4,6-diamino-1,3,5-triazin-2-yl)methyl 4-(trifluoromethyl)benzoate
CID 9415138
(4-chlorophenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 7753128
ethyl 4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzoate
CID 118033133
(4-chlorophenyl)methyl 4-amino-3-chlorobenzoate
CID 64687569
(4-chlorophenyl)methyl 2-chloro-2,2-difluoroacetate
CID 10354991
(4-tert-butylphenyl)methyl 4-carbamoylbenzoate
CID 30799344

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 4-(trifluoromethyl)benzoate?
The IUPAC name of (4-chlorophenyl)methyl 4-(trifluoromethyl)benzoate (CID 599354) is (4-chlorophenyl)methyl 4-(trifluoromethyl)benzoate.
What is the SMILES notation for (4-chlorophenyl)methyl 4-(trifluoromethyl)benzoate?
The canonical SMILES for (4-chlorophenyl)methyl 4-(trifluoromethyl)benzoate is O=C(OCc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4-chlorophenyl)methyl 4-(trifluoromethyl)benzoate?
The InChIKey is FMEFOXYOIZUCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O2/c16-13-7-1-10(2-8-13)9-21-14(20)11-3-5-12(6-4-11)15(17,18)19/h1-8H,9H2.
What are the key properties of (4-chlorophenyl)methyl 4-(trifluoromethyl)benzoate?
(4-chlorophenyl)methyl 4-(trifluoromethyl)benzoate has a molecular weight of 314.69 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 4-(trifluoromethyl)benzoate is sourced from PubChem (CID 599354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).