1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one

C10H10ClFO — CID 105394181

IUPAC1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C10H10ClFO/c1-6(2)10(13)8-5-7(12)3-4-9(8)11/h3-6H,1-2H3
InChIKeyLJIGGOFZWBUZED-UHFFFAOYSA-N
MW200.64 g/mol
LogP3.32
Rot. Bonds2

About 1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one

1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one (PubChem CID 105394181) has the molecular formula C10H10ClFO and a molecular weight of 200.64 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
PubChem CID105394181
Molecular FormulaC10H10ClFO
Molecular Weight200.64 g/mol
Exact Mass200.04
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C10H10ClFO/c1-6(2)10(13)8-5-7(12)3-4-9(8)11/h3-6H,1-2H3
InChIKeyLJIGGOFZWBUZED-UHFFFAOYSA-N
XLogP3.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one
CID 118804223
1-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-one
CID 114029059
propan-2-yl 2-chloro-5-fluorobenzoate
CID 130658316
3-amino-1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-1-one
CID 105396542
2,3-dibromo-1-(2-chloro-5-fluorophenyl)propan-1-one
CID 130136778
1-[2-chloro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one
CID 146009854
2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid
CID 117291128
N-butan-2-yl-2-chloro-5-fluorobenzamide
CID 129166839
1-(2-chloro-5-fluorophenyl)-2-methoxypentan-1-one
CID 105394391
2-chloro-N-[(1S)-1-cyanoethyl]-5-fluorobenzamide
CID 126769274
2-chloro-5-fluoro-N-hydroxybenzamide
CID 130688031
1-(4-chloro-2-fluorophenyl)-2-methylpropan-1-one;1-(4-chlorophenyl)-2-methylpropan-1-one;1-(3,4-dichlorophenyl)-2-methylpropan-1-one;1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one
CID 159763387

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one (CID 105394181) is 1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one is CC(C)C(=O)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one?
The InChIKey is LJIGGOFZWBUZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO/c1-6(2)10(13)8-5-7(12)3-4-9(8)11/h3-6H,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one?
1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one has a molecular weight of 200.64 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 105394181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).