1-[1,1-difluoroethyl(methyl)amino]propan-2-one

C6H11F2NO — CID 155034026

IUPAC1-[1,1-difluoroethyl(methyl)amino]propan-2-one
SMILESCC(=O)CN(C)C(C)(F)F
InChIInChI=1S/C6H11F2NO/c1-5(10)4-9(3)6(2,7)8/h4H2,1-3H3
InChIKeyFAIKCTDWIYQWOB-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.12
Rot. Bonds3

About 1-[1,1-difluoroethyl(methyl)amino]propan-2-one

1-[1,1-difluoroethyl(methyl)amino]propan-2-one (PubChem CID 155034026) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 1-[1,1-difluoroethyl(methyl)amino]propan-2-one.

Molecular Properties

Compound Name1-[1,1-difluoroethyl(methyl)amino]propan-2-one
PubChem CID155034026
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name1-[1,1-difluoroethyl(methyl)amino]propan-2-one
SMILESCC(=O)CN(C)C(C)(F)F
InChIInChI=1S/C6H11F2NO/c1-5(10)4-9(3)6(2,7)8/h4H2,1-3H3
InChIKeyFAIKCTDWIYQWOB-UHFFFAOYSA-N
XLogP1.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1-difluoroethyl(methyl)amino]propan-2-one?
The IUPAC name of 1-[1,1-difluoroethyl(methyl)amino]propan-2-one (CID 155034026) is 1-[1,1-difluoroethyl(methyl)amino]propan-2-one.
What is the SMILES notation for 1-[1,1-difluoroethyl(methyl)amino]propan-2-one?
The canonical SMILES for 1-[1,1-difluoroethyl(methyl)amino]propan-2-one is CC(=O)CN(C)C(C)(F)F.
What is the InChIKey of 1-[1,1-difluoroethyl(methyl)amino]propan-2-one?
The InChIKey is FAIKCTDWIYQWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-5(10)4-9(3)6(2,7)8/h4H2,1-3H3.
What are the key properties of 1-[1,1-difluoroethyl(methyl)amino]propan-2-one?
1-[1,1-difluoroethyl(methyl)amino]propan-2-one has a molecular weight of 151.16 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-difluoroethyl(methyl)amino]propan-2-one is sourced from PubChem (CID 155034026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).