2,2-difluoro-N,4-dimethylpentanamide

C7H13F2NO — CID 170108128

IUPAC2,2-difluoro-N,4-dimethylpentanamide
SMILESCNC(=O)C(F)(F)CC(C)C
InChIInChI=1S/C7H13F2NO/c1-5(2)4-7(8,9)6(11)10-3/h5H,4H2,1-3H3,(H,10,11)
InChIKeyLERRMSWDJCEODN-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.41
Rot. Bonds3

About 2,2-difluoro-N,4-dimethylpentanamide

2,2-difluoro-N,4-dimethylpentanamide (PubChem CID 170108128) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 2,2-difluoro-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2,2-difluoro-N,4-dimethylpentanamide
PubChem CID170108128
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name2,2-difluoro-N,4-dimethylpentanamide
SMILESCNC(=O)C(F)(F)CC(C)C
InChIInChI=1S/C7H13F2NO/c1-5(2)4-7(8,9)6(11)10-3/h5H,4H2,1-3H3,(H,10,11)
InChIKeyLERRMSWDJCEODN-UHFFFAOYSA-N
XLogP1.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N,4-dimethylpentanamide?
The IUPAC name of 2,2-difluoro-N,4-dimethylpentanamide (CID 170108128) is 2,2-difluoro-N,4-dimethylpentanamide.
What is the SMILES notation for 2,2-difluoro-N,4-dimethylpentanamide?
The canonical SMILES for 2,2-difluoro-N,4-dimethylpentanamide is CNC(=O)C(F)(F)CC(C)C.
What is the InChIKey of 2,2-difluoro-N,4-dimethylpentanamide?
The InChIKey is LERRMSWDJCEODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-5(2)4-7(8,9)6(11)10-3/h5H,4H2,1-3H3,(H,10,11).
What are the key properties of 2,2-difluoro-N,4-dimethylpentanamide?
2,2-difluoro-N,4-dimethylpentanamide has a molecular weight of 165.18 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N,4-dimethylpentanamide is sourced from PubChem (CID 170108128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).