1-(2-chlorophenyl)-1-fluoropropan-2-one

C9H8ClFO — CID 105442385

IUPAC1-(2-chlorophenyl)-1-fluoropropan-2-one
SMILESCC(=O)C(F)c1ccccc1Cl
InChIInChI=1S/C9H8ClFO/c1-6(12)9(11)7-4-2-3-5-8(7)10/h2-5,9H,1H3
InChIKeyRCUCIVQOQOEAGI-UHFFFAOYSA-N
MW186.61 g/mol
LogP2.94
Rot. Bonds2

About 1-(2-chlorophenyl)-1-fluoropropan-2-one

1-(2-chlorophenyl)-1-fluoropropan-2-one (PubChem CID 105442385) has the molecular formula C9H8ClFO and a molecular weight of 186.61 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-fluoropropan-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-fluoropropan-2-one
PubChem CID105442385
Molecular FormulaC9H8ClFO
Molecular Weight186.61 g/mol
Exact Mass186.02
IUPAC Name1-(2-chlorophenyl)-1-fluoropropan-2-one
SMILESCC(=O)C(F)c1ccccc1Cl
InChIInChI=1S/C9H8ClFO/c1-6(12)9(11)7-4-2-3-5-8(7)10/h2-5,9H,1H3
InChIKeyRCUCIVQOQOEAGI-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1,3-dichloro-1,3-bis(2-chlorophenyl)propan-2-one
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CID 81008605
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[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] acetate
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3-(2-chlorophenyl)-3-fluoro-1-phenylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-fluoropropan-2-one?
The IUPAC name of 1-(2-chlorophenyl)-1-fluoropropan-2-one (CID 105442385) is 1-(2-chlorophenyl)-1-fluoropropan-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-1-fluoropropan-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-1-fluoropropan-2-one is CC(=O)C(F)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-1-fluoropropan-2-one?
The InChIKey is RCUCIVQOQOEAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO/c1-6(12)9(11)7-4-2-3-5-8(7)10/h2-5,9H,1H3.
What are the key properties of 1-(2-chlorophenyl)-1-fluoropropan-2-one?
1-(2-chlorophenyl)-1-fluoropropan-2-one has a molecular weight of 186.61 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-fluoropropan-2-one is sourced from PubChem (CID 105442385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).