N-(2,2-difluoroethyl)-N,2-dimethylpropanamide

C7H13F2NO — CID 115611576

IUPACN-(2,2-difluoroethyl)-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)CC(F)F
InChIInChI=1S/C7H13F2NO/c1-5(2)7(11)10(3)4-6(8)9/h5-6H,4H2,1-3H3
InChIKeyKVCYPIYBZNRFEC-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.37
Rot. Bonds3

About N-(2,2-difluoroethyl)-N,2-dimethylpropanamide

N-(2,2-difluoroethyl)-N,2-dimethylpropanamide (PubChem CID 115611576) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N,2-dimethylpropanamide
PubChem CID115611576
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC NameN-(2,2-difluoroethyl)-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)CC(F)F
InChIInChI=1S/C7H13F2NO/c1-5(2)7(11)10(3)4-6(8)9/h5-6H,4H2,1-3H3
InChIKeyKVCYPIYBZNRFEC-UHFFFAOYSA-N
XLogP1.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N,2-dimethylpropanamide?
The IUPAC name of N-(2,2-difluoroethyl)-N,2-dimethylpropanamide (CID 115611576) is N-(2,2-difluoroethyl)-N,2-dimethylpropanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N,2-dimethylpropanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N,2-dimethylpropanamide is CC(C)C(=O)N(C)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N,2-dimethylpropanamide?
The InChIKey is KVCYPIYBZNRFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-5(2)7(11)10(3)4-6(8)9/h5-6H,4H2,1-3H3.
What are the key properties of N-(2,2-difluoroethyl)-N,2-dimethylpropanamide?
N-(2,2-difluoroethyl)-N,2-dimethylpropanamide has a molecular weight of 165.18 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 115611576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).