1-chloro-3-(2-fluorophenoxy)propan-2-one

C9H8ClFO2 — CID 39240570

IUPAC1-chloro-3-(2-fluorophenoxy)propan-2-one
SMILESO=C(CCl)COc1ccccc1F
InChIInChI=1S/C9H8ClFO2/c10-5-7(12)6-13-9-4-2-1-3-8(9)11/h1-4H,5-6H2
InChIKeyGEBPYDWEMFIHCW-UHFFFAOYSA-N
MW202.61 g/mol
LogP2.01
Rot. Bonds4

About 1-chloro-3-(2-fluorophenoxy)propan-2-one

1-chloro-3-(2-fluorophenoxy)propan-2-one (PubChem CID 39240570) has the molecular formula C9H8ClFO2 and a molecular weight of 202.61 g/mol. Its IUPAC name is 1-chloro-3-(2-fluorophenoxy)propan-2-one.

Molecular Properties

Compound Name1-chloro-3-(2-fluorophenoxy)propan-2-one
PubChem CID39240570
Molecular FormulaC9H8ClFO2
Molecular Weight202.61 g/mol
Exact Mass202.02
IUPAC Name1-chloro-3-(2-fluorophenoxy)propan-2-one
SMILESO=C(CCl)COc1ccccc1F
InChIInChI=1S/C9H8ClFO2/c10-5-7(12)6-13-9-4-2-1-3-8(9)11/h1-4H,5-6H2
InChIKeyGEBPYDWEMFIHCW-UHFFFAOYSA-N
XLogP2.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.61
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-fluorophenoxy)propan-2-one?
The IUPAC name of 1-chloro-3-(2-fluorophenoxy)propan-2-one (CID 39240570) is 1-chloro-3-(2-fluorophenoxy)propan-2-one.
What is the SMILES notation for 1-chloro-3-(2-fluorophenoxy)propan-2-one?
The canonical SMILES for 1-chloro-3-(2-fluorophenoxy)propan-2-one is O=C(CCl)COc1ccccc1F.
What is the InChIKey of 1-chloro-3-(2-fluorophenoxy)propan-2-one?
The InChIKey is GEBPYDWEMFIHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO2/c10-5-7(12)6-13-9-4-2-1-3-8(9)11/h1-4H,5-6H2.
What are the key properties of 1-chloro-3-(2-fluorophenoxy)propan-2-one?
1-chloro-3-(2-fluorophenoxy)propan-2-one has a molecular weight of 202.61 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-fluorophenoxy)propan-2-one is sourced from PubChem (CID 39240570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).