1,1-difluoro-3-pyridin-4-ylpropan-2-one

C8H7F2NO — CID 112699124

IUPAC1,1-difluoro-3-pyridin-4-ylpropan-2-one
SMILESO=C(Cc1ccncc1)C(F)F
InChIInChI=1S/C8H7F2NO/c9-8(10)7(12)5-6-1-3-11-4-2-6/h1-4,8H,5H2
InChIKeyDRLWWZVABHXRGI-UHFFFAOYSA-N
MW171.15 g/mol
LogP1.46
Rot. Bonds3

About 1,1-difluoro-3-pyridin-4-ylpropan-2-one

1,1-difluoro-3-pyridin-4-ylpropan-2-one (PubChem CID 112699124) has the molecular formula C8H7F2NO and a molecular weight of 171.15 g/mol. Its IUPAC name is 1,1-difluoro-3-pyridin-4-ylpropan-2-one.

Molecular Properties

Compound Name1,1-difluoro-3-pyridin-4-ylpropan-2-one
PubChem CID112699124
Molecular FormulaC8H7F2NO
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name1,1-difluoro-3-pyridin-4-ylpropan-2-one
SMILESO=C(Cc1ccncc1)C(F)F
InChIInChI=1S/C8H7F2NO/c9-8(10)7(12)5-6-1-3-11-4-2-6/h1-4,8H,5H2
InChIKeyDRLWWZVABHXRGI-UHFFFAOYSA-N
XLogP1.46
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-methyl-1-pyridin-4-ylbutan-2-one
CID 116564669
N-methylidene-2-pyridin-4-ylacetamide
CID 163641230
methyl 2-methyl-3-oxo-4-pyridin-4-ylbutanoate
CID 62551773
(1R)-1-amino-1-phenyl-3-pyridin-4-ylpropan-2-one
CID 104891227
1-(4-fluorophenyl)-3-pyridin-4-ylpropan-2-one
CID 62551750
4-amino-3-phenyl-1-pyridin-4-ylbutan-2-one
CID 116567147
5-amino-1-pyridin-4-ylpentan-2-one
CID 116553409
3-ethoxy-1-pyridin-4-ylhexan-2-one
CID 116707737
ethyl 2-(2-pyridin-4-ylacetyl)pentanoate
CID 83048780
N,2-dipyridin-4-ylacetamide
CID 110468100
1-(2,3-difluorophenyl)-3-pyridin-4-ylpropan-2-one
CID 62622512
N-(2-methylpropyl)-2-pyridin-4-ylacetamide
CID 78975326

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-pyridin-4-ylpropan-2-one?
The IUPAC name of 1,1-difluoro-3-pyridin-4-ylpropan-2-one (CID 112699124) is 1,1-difluoro-3-pyridin-4-ylpropan-2-one.
What is the SMILES notation for 1,1-difluoro-3-pyridin-4-ylpropan-2-one?
The canonical SMILES for 1,1-difluoro-3-pyridin-4-ylpropan-2-one is O=C(Cc1ccncc1)C(F)F.
What is the InChIKey of 1,1-difluoro-3-pyridin-4-ylpropan-2-one?
The InChIKey is DRLWWZVABHXRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO/c9-8(10)7(12)5-6-1-3-11-4-2-6/h1-4,8H,5H2.
What are the key properties of 1,1-difluoro-3-pyridin-4-ylpropan-2-one?
1,1-difluoro-3-pyridin-4-ylpropan-2-one has a molecular weight of 171.15 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-pyridin-4-ylpropan-2-one is sourced from PubChem (CID 112699124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).