1-(2-chloro-4-fluorophenyl)propan-2-one

C9H8ClFO — CID 2757564

IUPAC1-(2-chloro-4-fluorophenyl)propan-2-one
SMILESCC(=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C9H8ClFO/c1-6(12)4-7-2-3-8(11)5-9(7)10/h2-3,5H,4H2,1H3
InChIKeyCDQMKCMBGINRCD-UHFFFAOYSA-N
MW186.61 g/mol
LogP2.61
Rot. Bonds2

About 1-(2-chloro-4-fluorophenyl)propan-2-one

1-(2-chloro-4-fluorophenyl)propan-2-one (PubChem CID 2757564) has the molecular formula C9H8ClFO and a molecular weight of 186.61 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)propan-2-one
PubChem CID2757564
Molecular FormulaC9H8ClFO
Molecular Weight186.61 g/mol
Exact Mass186.02
IUPAC Name1-(2-chloro-4-fluorophenyl)propan-2-one
SMILESCC(=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C9H8ClFO/c1-6(12)4-7-2-3-8(11)5-9(7)10/h2-3,5H,4H2,1H3
InChIKeyCDQMKCMBGINRCD-UHFFFAOYSA-N
XLogP2.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.61
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)propan-2-one?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)propan-2-one (CID 2757564) is 1-(2-chloro-4-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)propan-2-one is CC(=O)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)propan-2-one?
The InChIKey is CDQMKCMBGINRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO/c1-6(12)4-7-2-3-8(11)5-9(7)10/h2-3,5H,4H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)propan-2-one?
1-(2-chloro-4-fluorophenyl)propan-2-one has a molecular weight of 186.61 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)propan-2-one is sourced from PubChem (CID 2757564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).