(2-chloro-6-fluorophenyl)methyl 2-phenylacetate

C15H12ClFO2 — CID 954273

IUPAC(2-chloro-6-fluorophenyl)methyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCc1c(F)cccc1Cl
InChIInChI=1S/C15H12ClFO2/c16-13-7-4-8-14(17)12(13)10-19-15(18)9-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyXNLAIBYKDFUXFX-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.77
Rot. Bonds4

About (2-chloro-6-fluorophenyl)methyl 2-phenylacetate

(2-chloro-6-fluorophenyl)methyl 2-phenylacetate (PubChem CID 954273) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 2-phenylacetate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 2-phenylacetate
PubChem CID954273
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name(2-chloro-6-fluorophenyl)methyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCc1c(F)cccc1Cl
InChIInChI=1S/C15H12ClFO2/c16-13-7-4-8-14(17)12(13)10-19-15(18)9-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyXNLAIBYKDFUXFX-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-phenylacetate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-phenylacetate (CID 954273) is (2-chloro-6-fluorophenyl)methyl 2-phenylacetate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 2-phenylacetate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 2-phenylacetate is O=C(Cc1ccccc1)OCc1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 2-phenylacetate?
The InChIKey is XNLAIBYKDFUXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c16-13-7-4-8-14(17)12(13)10-19-15(18)9-11-5-2-1-3-6-11/h1-8H,9-10H2.
What are the key properties of (2-chloro-6-fluorophenyl)methyl 2-phenylacetate?
(2-chloro-6-fluorophenyl)methyl 2-phenylacetate has a molecular weight of 278.71 g/mol, XLogP of 3.77, 4 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 2-phenylacetate is sourced from PubChem (CID 954273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).