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

C15H12F2O2 — CID 63283831

IUPAC(2-fluorophenyl)methyl 4-fluoro-3-methylbenzoate
SMILESCc1cc(C(=O)OCc2ccccc2F)ccc1F
InChIInChI=1S/C15H12F2O2/c1-10-8-11(6-7-13(10)16)15(18)19-9-12-4-2-3-5-14(12)17/h2-8H,9H2,1H3
InChIKeyPPVMICHVEFVTTK-UHFFFAOYSA-N
MW262.25 g/mol
LogP3.63
Rot. Bonds3

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

(2-fluorophenyl)methyl 4-fluoro-3-methylbenzoate (PubChem CID 63283831) has the molecular formula C15H12F2O2 and a molecular weight of 262.25 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 4-fluoro-3-methylbenzoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 4-fluoro-3-methylbenzoate
PubChem CID63283831
Molecular FormulaC15H12F2O2
Molecular Weight262.25 g/mol
Exact Mass262.08
IUPAC Name(2-fluorophenyl)methyl 4-fluoro-3-methylbenzoate
SMILESCc1cc(C(=O)OCc2ccccc2F)ccc1F
InChIInChI=1S/C15H12F2O2/c1-10-8-11(6-7-13(10)16)15(18)19-9-12-4-2-3-5-14(12)17/h2-8H,9H2,1H3
InChIKeyPPVMICHVEFVTTK-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 3-fluoro-4-methylbenzoate
CID 52515102
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(3-chlorophenyl)methyl 4-fluoro-3-methylbenzoate
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2-hydroxyethyl 4-fluoro-3-methylbenzoate
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(2-fluorophenyl)methyl 6-fluoropyridine-3-carboxylate
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(2-fluorophenyl)methyl 4-(methylsulfonylmethyl)benzoate
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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 4-fluoro-3-methylbenzoate?
The IUPAC name of (2-fluorophenyl)methyl 4-fluoro-3-methylbenzoate (CID 63283831) is (2-fluorophenyl)methyl 4-fluoro-3-methylbenzoate.
What is the SMILES notation for (2-fluorophenyl)methyl 4-fluoro-3-methylbenzoate?
The canonical SMILES for (2-fluorophenyl)methyl 4-fluoro-3-methylbenzoate is Cc1cc(C(=O)OCc2ccccc2F)ccc1F.
What is the InChIKey of (2-fluorophenyl)methyl 4-fluoro-3-methylbenzoate?
The InChIKey is PPVMICHVEFVTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O2/c1-10-8-11(6-7-13(10)16)15(18)19-9-12-4-2-3-5-14(12)17/h2-8H,9H2,1H3.
What are the key properties of (2-fluorophenyl)methyl 4-fluoro-3-methylbenzoate?
(2-fluorophenyl)methyl 4-fluoro-3-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 4-fluoro-3-methylbenzoate is sourced from PubChem (CID 63283831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).