(2-fluorophenyl)methyl 3-cyanobenzoate

C15H10FNO2 — CID 2626137

IUPAC(2-fluorophenyl)methyl 3-cyanobenzoate
SMILESN#Cc1cccc(C(=O)OCc2ccccc2F)c1
InChIInChI=1S/C15H10FNO2/c16-14-7-2-1-5-13(14)10-19-15(18)12-6-3-4-11(8-12)9-17/h1-8H,10H2
InChIKeyVYOZBCZHMGVNMC-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.05
Rot. Bonds3

About (2-fluorophenyl)methyl 3-cyanobenzoate

(2-fluorophenyl)methyl 3-cyanobenzoate (PubChem CID 2626137) has the molecular formula C15H10FNO2 and a molecular weight of 255.25 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 3-cyanobenzoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 3-cyanobenzoate
PubChem CID2626137
Molecular FormulaC15H10FNO2
Molecular Weight255.25 g/mol
Exact Mass255.07
IUPAC Name(2-fluorophenyl)methyl 3-cyanobenzoate
SMILESN#Cc1cccc(C(=O)OCc2ccccc2F)c1
InChIInChI=1S/C15H10FNO2/c16-14-7-2-1-5-13(14)10-19-15(18)12-6-3-4-11(8-12)9-17/h1-8H,10H2
InChIKeyVYOZBCZHMGVNMC-UHFFFAOYSA-N
XLogP3.05
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 17406508
propyl 3-cyanobenzoate
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(2-fluorophenyl)methyl 3-fluoro-4-methylbenzoate
CID 52515102
(2-fluorophenyl)methyl 4-fluoro-3-methylbenzoate
CID 63283831
(2-fluorophenyl)methyl 3,5-dimethoxybenzoate
CID 23993945
(3-cyanophenyl)methyl 4-amino-3-fluorobenzoate
CID 62682433
3-cyanopropyl 3-cyanobenzoate
CID 46573563
(5-acetyl-2-methoxyphenyl)methyl 3-cyanobenzoate
CID 7454549
(5-cyano-2-fluorophenyl)methyl 2-(2-cyanophenyl)benzoate
CID 55475194
4-O-[(2-fluorophenyl)methyl] 1-O-nonyl benzene-1,4-dicarboxylate
CID 91740361
(2-fluorophenyl)methyl 3-(tetrazol-1-yl)benzoate
CID 30393199
[2-(2-ethylanilino)-2-oxoethyl] 3-cyanobenzoate
CID 7454911

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 3-cyanobenzoate?
The IUPAC name of (2-fluorophenyl)methyl 3-cyanobenzoate (CID 2626137) is (2-fluorophenyl)methyl 3-cyanobenzoate.
What is the SMILES notation for (2-fluorophenyl)methyl 3-cyanobenzoate?
The canonical SMILES for (2-fluorophenyl)methyl 3-cyanobenzoate is N#Cc1cccc(C(=O)OCc2ccccc2F)c1.
What is the InChIKey of (2-fluorophenyl)methyl 3-cyanobenzoate?
The InChIKey is VYOZBCZHMGVNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2/c16-14-7-2-1-5-13(14)10-19-15(18)12-6-3-4-11(8-12)9-17/h1-8H,10H2.
What are the key properties of (2-fluorophenyl)methyl 3-cyanobenzoate?
(2-fluorophenyl)methyl 3-cyanobenzoate has a molecular weight of 255.25 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 3-cyanobenzoate is sourced from PubChem (CID 2626137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).