4,4-difluoro-N,N,2-trimethylbutanamide

C7H13F2NO — CID 20766334

IUPAC4,4-difluoro-N,N,2-trimethylbutanamide
SMILESCC(CC(F)F)C(=O)N(C)C
InChIInChI=1S/C7H13F2NO/c1-5(4-6(8)9)7(11)10(2)3/h5-6H,4H2,1-3H3
InChIKeyZXTFGNRTPNZBQH-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.37
Rot. Bonds3

About 4,4-difluoro-N,N,2-trimethylbutanamide

4,4-difluoro-N,N,2-trimethylbutanamide (PubChem CID 20766334) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 4,4-difluoro-N,N,2-trimethylbutanamide.

Molecular Properties

Compound Name4,4-difluoro-N,N,2-trimethylbutanamide
PubChem CID20766334
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name4,4-difluoro-N,N,2-trimethylbutanamide
SMILESCC(CC(F)F)C(=O)N(C)C
InChIInChI=1S/C7H13F2NO/c1-5(4-6(8)9)7(11)10(2)3/h5-6H,4H2,1-3H3
InChIKeyZXTFGNRTPNZBQH-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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Related Compounds

3,3,3-trifluoro-N,N-dimethylpropanamide
CID 15104044
3,3,3-Trifluoro-N,N-dimethyl-2-(trifluoromethyl)propanamide
CID 613887
N,N-dimethyl-2-(trifluoromethyl)pentanamide
CID 87943256
N,N,2-trimethylbutanamide
CID 4476069
N-butyl-2-methyl-N-(trifluoromethyl)butanamide
CID 44550872
(2S)-N,N-dimethyl-2-(trifluoromethyl)pentanamide
CID 146165236
N,N,3-Trimethylbutanamide
CID 4635762
N,N-diethyl-3,3,4,4,4-pentafluoro-2-methylbutanamide
CID 23236512
2,2,3,4,4,4-hexafluoro-N,N-dimethylbutanamide
CID 17997712
N-methyl-N-(trifluoromethyl)propanamide
CID 20642405
4,4,4-trifluoro-N,2-dimethylbutanamide
CID 23548713
3,3-difluoro-N,N-dimethylcyclobutane-1-carboxamide
CID 57988832

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N,N,2-trimethylbutanamide?
The IUPAC name of 4,4-difluoro-N,N,2-trimethylbutanamide (CID 20766334) is 4,4-difluoro-N,N,2-trimethylbutanamide.
What is the SMILES notation for 4,4-difluoro-N,N,2-trimethylbutanamide?
The canonical SMILES for 4,4-difluoro-N,N,2-trimethylbutanamide is CC(CC(F)F)C(=O)N(C)C.
What is the InChIKey of 4,4-difluoro-N,N,2-trimethylbutanamide?
The InChIKey is ZXTFGNRTPNZBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-5(4-6(8)9)7(11)10(2)3/h5-6H,4H2,1-3H3.
What are the key properties of 4,4-difluoro-N,N,2-trimethylbutanamide?
4,4-difluoro-N,N,2-trimethylbutanamide 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 4,4-difluoro-N,N,2-trimethylbutanamide is sourced from PubChem (CID 20766334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).