1-(dimethylamino)-4,4,4-trifluorobutan-2-one

C6H10F3NO — CID 22002035

IUPAC1-(dimethylamino)-4,4,4-trifluorobutan-2-one
SMILESCN(C)CC(=O)CC(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-10(2)4-5(11)3-6(7,8)9/h3-4H2,1-2H3
InChIKeyKPIDSPVDPGQCCT-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.07
Rot. Bonds3

About 1-(dimethylamino)-4,4,4-trifluorobutan-2-one

1-(dimethylamino)-4,4,4-trifluorobutan-2-one (PubChem CID 22002035) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 1-(dimethylamino)-4,4,4-trifluorobutan-2-one.

Molecular Properties

Compound Name1-(dimethylamino)-4,4,4-trifluorobutan-2-one
PubChem CID22002035
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name1-(dimethylamino)-4,4,4-trifluorobutan-2-one
SMILESCN(C)CC(=O)CC(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-10(2)4-5(11)3-6(7,8)9/h3-4H2,1-2H3
InChIKeyKPIDSPVDPGQCCT-UHFFFAOYSA-N
XLogP1.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-4,4,4-trifluorobutan-2-one?
The IUPAC name of 1-(dimethylamino)-4,4,4-trifluorobutan-2-one (CID 22002035) is 1-(dimethylamino)-4,4,4-trifluorobutan-2-one.
What is the SMILES notation for 1-(dimethylamino)-4,4,4-trifluorobutan-2-one?
The canonical SMILES for 1-(dimethylamino)-4,4,4-trifluorobutan-2-one is CN(C)CC(=O)CC(F)(F)F.
What is the InChIKey of 1-(dimethylamino)-4,4,4-trifluorobutan-2-one?
The InChIKey is KPIDSPVDPGQCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-10(2)4-5(11)3-6(7,8)9/h3-4H2,1-2H3.
What are the key properties of 1-(dimethylamino)-4,4,4-trifluorobutan-2-one?
1-(dimethylamino)-4,4,4-trifluorobutan-2-one has a molecular weight of 169.15 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-4,4,4-trifluorobutan-2-one is sourced from PubChem (CID 22002035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).