(2-chloro-6-fluorophenyl)methyl acetate

C9H8ClFO2 — CID 2780126

IUPAC(2-chloro-6-fluorophenyl)methyl acetate
SMILESCC(=O)OCc1c(F)cccc1Cl
InChIInChI=1S/C9H8ClFO2/c1-6(12)13-5-7-8(10)3-2-4-9(7)11/h2-4H,5H2,1H3
InChIKeyKQBYGGLCXYXLCP-UHFFFAOYSA-N
MW202.61 g/mol
LogP2.54
Rot. Bonds2

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

(2-chloro-6-fluorophenyl)methyl acetate (PubChem CID 2780126) has the molecular formula C9H8ClFO2 and a molecular weight of 202.61 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl acetate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl acetate
PubChem CID2780126
Molecular FormulaC9H8ClFO2
Molecular Weight202.61 g/mol
Exact Mass202.02
IUPAC Name(2-chloro-6-fluorophenyl)methyl acetate
SMILESCC(=O)OCc1c(F)cccc1Cl
InChIInChI=1S/C9H8ClFO2/c1-6(12)13-5-7-8(10)3-2-4-9(7)11/h2-4H,5H2,1H3
InChIKeyKQBYGGLCXYXLCP-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.61
LogP ≤ 52.54
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 acetate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl acetate (CID 2780126) is (2-chloro-6-fluorophenyl)methyl acetate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl acetate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl acetate is CC(=O)OCc1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl acetate?
The InChIKey is KQBYGGLCXYXLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO2/c1-6(12)13-5-7-8(10)3-2-4-9(7)11/h2-4H,5H2,1H3.
What are the key properties of (2-chloro-6-fluorophenyl)methyl acetate?
(2-chloro-6-fluorophenyl)methyl acetate has a molecular weight of 202.61 g/mol, XLogP of 2.54, 2 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 acetate is sourced from PubChem (CID 2780126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).