1-(2,2-difluoropropylamino)propan-2-one

C6H11F2NO — CID 143630072

IUPAC1-(2,2-difluoropropylamino)propan-2-one
SMILESCC(=O)CNCC(C)(F)F
InChIInChI=1S/C6H11F2NO/c1-5(10)3-9-4-6(2,7)8/h9H,3-4H2,1-2H3
InChIKeyLYRCAEPVYGDANI-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.82
Rot. Bonds4

About 1-(2,2-difluoropropylamino)propan-2-one

1-(2,2-difluoropropylamino)propan-2-one (PubChem CID 143630072) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 1-(2,2-difluoropropylamino)propan-2-one.

Molecular Properties

Compound Name1-(2,2-difluoropropylamino)propan-2-one
PubChem CID143630072
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name1-(2,2-difluoropropylamino)propan-2-one
SMILESCC(=O)CNCC(C)(F)F
InChIInChI=1S/C6H11F2NO/c1-5(10)3-9-4-6(2,7)8/h9H,3-4H2,1-2H3
InChIKeyLYRCAEPVYGDANI-UHFFFAOYSA-N
XLogP0.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Methylamino)propan-2-one
CID 12270070
1-(2-Oxopropylamino)propan-2-one
CID 19940200
1-(Propylamino)propan-2-one
CID 20153956
1-(Ethylamino)propan-2-one
CID 20759975
Trifluoroacetamidoacetone
CID 14076243
1,1,1-Trifluoro-3-(methylamino)butan-2-one
CID 18721931
1-Fluoro-1-(methylamino)propan-2-one
CID 54015150
1,1,1-Trifluoro-3-(methylamino)propan-2-one
CID 59614911
1-[Methyl(2,2,2-trifluoroethyl)amino]propan-2-one
CID 60891591
1-Fluoro-3-(methylamino)propan-2-one
CID 88087573
1-Amino-3-[(4-amino-3,3-difluorobutyl)amino]propan-2-one
CID 88659048
3-Methyl-3-(2,2,2-trifluoroethylamino)butan-2-one
CID 89694699

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropylamino)propan-2-one?
The IUPAC name of 1-(2,2-difluoropropylamino)propan-2-one (CID 143630072) is 1-(2,2-difluoropropylamino)propan-2-one.
What is the SMILES notation for 1-(2,2-difluoropropylamino)propan-2-one?
The canonical SMILES for 1-(2,2-difluoropropylamino)propan-2-one is CC(=O)CNCC(C)(F)F.
What is the InChIKey of 1-(2,2-difluoropropylamino)propan-2-one?
The InChIKey is LYRCAEPVYGDANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-5(10)3-9-4-6(2,7)8/h9H,3-4H2,1-2H3.
What are the key properties of 1-(2,2-difluoropropylamino)propan-2-one?
1-(2,2-difluoropropylamino)propan-2-one has a molecular weight of 151.16 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropylamino)propan-2-one is sourced from PubChem (CID 143630072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).