4-(dimethylamino)-3,3-difluorobutan-2-one

C6H11F2NO — CID 20671608

IUPAC4-(dimethylamino)-3,3-difluorobutan-2-one
SMILESCC(=O)C(F)(F)CN(C)C
InChIInChI=1S/C6H11F2NO/c1-5(10)6(7,8)4-9(2)3/h4H2,1-3H3
InChIKeyCTLBVWNCQZWFAR-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.77
Rot. Bonds3

About 4-(dimethylamino)-3,3-difluorobutan-2-one

4-(dimethylamino)-3,3-difluorobutan-2-one (PubChem CID 20671608) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 4-(dimethylamino)-3,3-difluorobutan-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-3,3-difluorobutan-2-one
PubChem CID20671608
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name4-(dimethylamino)-3,3-difluorobutan-2-one
SMILESCC(=O)C(F)(F)CN(C)C
InChIInChI=1S/C6H11F2NO/c1-5(10)6(7,8)4-9(2)3/h4H2,1-3H3
InChIKeyCTLBVWNCQZWFAR-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3,3-difluorobutan-2-one?
The IUPAC name of 4-(dimethylamino)-3,3-difluorobutan-2-one (CID 20671608) is 4-(dimethylamino)-3,3-difluorobutan-2-one.
What is the SMILES notation for 4-(dimethylamino)-3,3-difluorobutan-2-one?
The canonical SMILES for 4-(dimethylamino)-3,3-difluorobutan-2-one is CC(=O)C(F)(F)CN(C)C.
What is the InChIKey of 4-(dimethylamino)-3,3-difluorobutan-2-one?
The InChIKey is CTLBVWNCQZWFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-5(10)6(7,8)4-9(2)3/h4H2,1-3H3.
What are the key properties of 4-(dimethylamino)-3,3-difluorobutan-2-one?
4-(dimethylamino)-3,3-difluorobutan-2-one has a molecular weight of 151.16 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3,3-difluorobutan-2-one is sourced from PubChem (CID 20671608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).