(2-chloro-6-fluorophenyl)methyl naphthalene-1-carboxylate

C18H12ClFO2 — CID 954125

IUPAC(2-chloro-6-fluorophenyl)methyl naphthalene-1-carboxylate
SMILESO=C(OCc1c(F)cccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C18H12ClFO2/c19-16-9-4-10-17(20)15(16)11-22-18(21)14-8-3-6-12-5-1-2-7-13(12)14/h1-10H,11H2
InChIKeyBNTMPGKZDYGHAE-UHFFFAOYSA-N
MW314.74 g/mol
LogP4.99
Rot. Bonds3

About (2-chloro-6-fluorophenyl)methyl naphthalene-1-carboxylate

(2-chloro-6-fluorophenyl)methyl naphthalene-1-carboxylate (PubChem CID 954125) has the molecular formula C18H12ClFO2 and a molecular weight of 314.74 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl naphthalene-1-carboxylate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl naphthalene-1-carboxylate
PubChem CID954125
Molecular FormulaC18H12ClFO2
Molecular Weight314.74 g/mol
Exact Mass314.05
IUPAC Name(2-chloro-6-fluorophenyl)methyl naphthalene-1-carboxylate
SMILESO=C(OCc1c(F)cccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C18H12ClFO2/c19-16-9-4-10-17(20)15(16)11-22-18(21)14-8-3-6-12-5-1-2-7-13(12)14/h1-10H,11H2
InChIKeyBNTMPGKZDYGHAE-UHFFFAOYSA-N
XLogP4.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-O-[(2-chloro-6-fluorophenyl)methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504991
(2-chloro-6-fluorophenyl)methyl 2-benzoylbenzoate
CID 1294400
(2-chloro-6-fluorophenyl)methyl 2,3,4,5,6-pentafluorobenzoate
CID 91742427
(2-chloro-6-fluorophenyl)methyl 2-amino-6-chlorobenzoate
CID 63661844
(2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2433435
2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid
CID 4126924
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18112160
(2-chloro-6-fluorophenyl)methyl 5-chloro-2-nitrobenzoate
CID 2602590
(2-chloro-6-fluorophenyl)methyl 2-aminopropanoate
CID 82115903
(2-chloro-6-fluorophenyl)methyl 2-(2,5-dimethylphenyl)sulfonyloxybenzoate
CID 2535245
(2-chloro-6-fluorophenyl)methyl 4-benzamidobenzoate
CID 1293916
(2-chloro-6-fluorophenyl)methyl pyrazine-2-carboxylate
CID 977894

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl naphthalene-1-carboxylate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl naphthalene-1-carboxylate (CID 954125) is (2-chloro-6-fluorophenyl)methyl naphthalene-1-carboxylate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl naphthalene-1-carboxylate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl naphthalene-1-carboxylate is O=C(OCc1c(F)cccc1Cl)c1cccc2ccccc12.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl naphthalene-1-carboxylate?
The InChIKey is BNTMPGKZDYGHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFO2/c19-16-9-4-10-17(20)15(16)11-22-18(21)14-8-3-6-12-5-1-2-7-13(12)14/h1-10H,11H2.
What are the key properties of (2-chloro-6-fluorophenyl)methyl naphthalene-1-carboxylate?
(2-chloro-6-fluorophenyl)methyl naphthalene-1-carboxylate has a molecular weight of 314.74 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl naphthalene-1-carboxylate is sourced from PubChem (CID 954125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).