1-(3-chloro-2-fluoro-5-methylphenyl)propan-2-one

C10H10ClFO — CID 84669702

IUPAC1-(3-chloro-2-fluoro-5-methylphenyl)propan-2-one
SMILESCC(=O)Cc1cc(C)cc(Cl)c1F
InChIInChI=1S/C10H10ClFO/c1-6-3-8(5-7(2)13)10(12)9(11)4-6/h3-4H,5H2,1-2H3
InChIKeyWIWSIHKWZDGGOW-UHFFFAOYSA-N
MW200.64 g/mol
LogP2.92
Rot. Bonds2

About 1-(3-chloro-2-fluoro-5-methylphenyl)propan-2-one

1-(3-chloro-2-fluoro-5-methylphenyl)propan-2-one (PubChem CID 84669702) has the molecular formula C10H10ClFO and a molecular weight of 200.64 g/mol. Its IUPAC name is 1-(3-chloro-2-fluoro-5-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-chloro-2-fluoro-5-methylphenyl)propan-2-one
PubChem CID84669702
Molecular FormulaC10H10ClFO
Molecular Weight200.64 g/mol
Exact Mass200.04
IUPAC Name1-(3-chloro-2-fluoro-5-methylphenyl)propan-2-one
SMILESCC(=O)Cc1cc(C)cc(Cl)c1F
InChIInChI=1S/C10H10ClFO/c1-6-3-8(5-7(2)13)10(12)9(11)4-6/h3-4H,5H2,1-2H3
InChIKeyWIWSIHKWZDGGOW-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-fluoro-5-methylphenyl)propan-2-one
CID 84704825
3-(3-chloro-2-fluoro-5-methylphenyl)propanoic acid
CID 84682257
3-(3-chloro-2-fluoro-5-methylphenyl)propanal
CID 117289566
1-(2-chloro-5-methylphenyl)propan-2-one
CID 58483794
2-(3-chloro-2-fluoro-5-methylphenyl)-N-methylethanamine
CID 84670371
2-(5-bromo-3-chloro-2-fluorophenyl)acetic acid
CID 83402830
1-(3-chloro-2,5-difluoro-6-hydroxyphenyl)propan-2-one
CID 117314974
1-(2-chloro-6-methoxy-4-methylphenyl)propan-2-one
CID 84782491
1-(4-bromo-5-chloro-2-fluorophenyl)propan-2-one
CID 84807670
1-(5-chloro-2-fluoro-4-hydroxyphenyl)propan-2-one
CID 84671080
1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone
CID 117289595
ethyl 2-(3,5-dichloro-2-fluorophenyl)acetate
CID 121228349

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluoro-5-methylphenyl)propan-2-one?
The IUPAC name of 1-(3-chloro-2-fluoro-5-methylphenyl)propan-2-one (CID 84669702) is 1-(3-chloro-2-fluoro-5-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(3-chloro-2-fluoro-5-methylphenyl)propan-2-one?
The canonical SMILES for 1-(3-chloro-2-fluoro-5-methylphenyl)propan-2-one is CC(=O)Cc1cc(C)cc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluoro-5-methylphenyl)propan-2-one?
The InChIKey is WIWSIHKWZDGGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO/c1-6-3-8(5-7(2)13)10(12)9(11)4-6/h3-4H,5H2,1-2H3.
What are the key properties of 1-(3-chloro-2-fluoro-5-methylphenyl)propan-2-one?
1-(3-chloro-2-fluoro-5-methylphenyl)propan-2-one has a molecular weight of 200.64 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluoro-5-methylphenyl)propan-2-one is sourced from PubChem (CID 84669702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).