1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one

C10H9F3O — CID 114347353

IUPAC1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one
SMILESCc1cc(F)ccc1CC(=O)C(F)F
InChIInChI=1S/C10H9F3O/c1-6-4-8(11)3-2-7(6)5-9(14)10(12)13/h2-4,10H,5H2,1H3
InChIKeyPFXUMOBRYVICHP-UHFFFAOYSA-N
MW202.17 g/mol
LogP2.51
Rot. Bonds3

About 1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one

1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one (PubChem CID 114347353) has the molecular formula C10H9F3O and a molecular weight of 202.17 g/mol. Its IUPAC name is 1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one
PubChem CID114347353
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one
SMILESCc1cc(F)ccc1CC(=O)C(F)F
InChIInChI=1S/C10H9F3O/c1-6-4-8(11)3-2-7(6)5-9(14)10(12)13/h2-4,10H,5H2,1H3
InChIKeyPFXUMOBRYVICHP-UHFFFAOYSA-N
XLogP2.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)-3-(trifluoromethyl)butan-2-one
CID 103311604
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
4-amino-1-(4-fluoro-2-methylphenyl)-3-methylbutan-2-one
CID 114350390
1-(4-fluoro-2-methylphenyl)-3-methoxypentan-2-one
CID 114347367
2-bromo-1-(4-fluoro-2-methylphenyl)-4-methylpentan-3-one
CID 62393913
1-bromo-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 130882304
1-cyclopropyl-3-(4-fluoro-2-methylphenyl)-1-methoxypropan-2-one
CID 114347373
1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347298
1-cyclopropyl-1-ethoxy-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347374
3-amino-1-(4-fluoro-2-methylphenyl)-6-methoxyhexan-2-one
CID 114350472
ethane;1-ethyl-4-fluoro-2-methylbenzene
CID 143471886
4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-2-one
CID 114347174

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one?
The IUPAC name of 1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one (CID 114347353) is 1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one.
What is the SMILES notation for 1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one?
The canonical SMILES for 1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one is Cc1cc(F)ccc1CC(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one?
The InChIKey is PFXUMOBRYVICHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O/c1-6-4-8(11)3-2-7(6)5-9(14)10(12)13/h2-4,10H,5H2,1H3.
What are the key properties of 1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one?
1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one has a molecular weight of 202.17 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one is sourced from PubChem (CID 114347353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).