(2-fluorophenyl)methyl 3-fluoro-4-methylbenzoate

C15H12F2O2 — CID 52515102

IUPAC(2-fluorophenyl)methyl 3-fluoro-4-methylbenzoate
SMILESCc1ccc(C(=O)OCc2ccccc2F)cc1F
InChIInChI=1S/C15H12F2O2/c1-10-6-7-11(8-14(10)17)15(18)19-9-12-4-2-3-5-13(12)16/h2-8H,9H2,1H3
InChIKeyAISOASWOWIBDKZ-UHFFFAOYSA-N
MW262.25 g/mol
LogP3.63
Rot. Bonds3

About (2-fluorophenyl)methyl 3-fluoro-4-methylbenzoate

(2-fluorophenyl)methyl 3-fluoro-4-methylbenzoate (PubChem CID 52515102) has the molecular formula C15H12F2O2 and a molecular weight of 262.25 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 3-fluoro-4-methylbenzoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 3-fluoro-4-methylbenzoate
PubChem CID52515102
Molecular FormulaC15H12F2O2
Molecular Weight262.25 g/mol
Exact Mass262.08
IUPAC Name(2-fluorophenyl)methyl 3-fluoro-4-methylbenzoate
SMILESCc1ccc(C(=O)OCc2ccccc2F)cc1F
InChIInChI=1S/C15H12F2O2/c1-10-6-7-11(8-14(10)17)15(18)19-9-12-4-2-3-5-13(12)16/h2-8H,9H2,1H3
InChIKeyAISOASWOWIBDKZ-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluorophenyl)methyl 4-fluoro-3-methylbenzoate
CID 63283831
(2-fluorophenyl)methyl 3-fluoro-4-nitrobenzoate
CID 63118911
(2-fluorophenyl)methyl 3,5-dimethoxybenzoate
CID 23993945
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 40722597
(2-fluorophenyl)methyl 4-(2-aminoethyl)benzoate
CID 63933039
[2-(2-methylanilino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386498
ethyl 4-amino-3-[(2-fluorophenyl)methoxy]benzoate
CID 82778634
(2-fluorophenyl)methyl 6-fluoropyridine-3-carboxylate
CID 113236225
4-O-[(2-fluorophenyl)methyl] 1-O-nonyl benzene-1,4-dicarboxylate
CID 91740361
(2,5-dimethylphenyl)methyl 4-amino-3-fluorobenzoate
CID 62681353
(2-fluorophenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 7753125
(2-fluorophenyl)methyl 3-cyanobenzoate
CID 2626137

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 3-fluoro-4-methylbenzoate?
The IUPAC name of (2-fluorophenyl)methyl 3-fluoro-4-methylbenzoate (CID 52515102) is (2-fluorophenyl)methyl 3-fluoro-4-methylbenzoate.
What is the SMILES notation for (2-fluorophenyl)methyl 3-fluoro-4-methylbenzoate?
The canonical SMILES for (2-fluorophenyl)methyl 3-fluoro-4-methylbenzoate is Cc1ccc(C(=O)OCc2ccccc2F)cc1F.
What is the InChIKey of (2-fluorophenyl)methyl 3-fluoro-4-methylbenzoate?
The InChIKey is AISOASWOWIBDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O2/c1-10-6-7-11(8-14(10)17)15(18)19-9-12-4-2-3-5-13(12)16/h2-8H,9H2,1H3.
What are the key properties of (2-fluorophenyl)methyl 3-fluoro-4-methylbenzoate?
(2-fluorophenyl)methyl 3-fluoro-4-methylbenzoate has a molecular weight of 262.25 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 3-fluoro-4-methylbenzoate is sourced from PubChem (CID 52515102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).