(2R)-2-(difluoromethyl)-2,3-dimethylbutanamide

C7H13F2NO — CID 140943328

IUPAC(2R)-2-(difluoromethyl)-2,3-dimethylbutanamide
SMILESCC(C)[C@](C)(C(N)=O)C(F)F
InChIInChI=1S/C7H13F2NO/c1-4(2)7(3,5(8)9)6(10)11/h4-5H,1-3H3,(H2,10,11)/t7-/m0/s1
InChIKeyWCXFIMPIWPIUNY-ZETCQYMHSA-N
MW165.18 g/mol
LogP1.40
Rot. Bonds3

About (2R)-2-(difluoromethyl)-2,3-dimethylbutanamide

(2R)-2-(difluoromethyl)-2,3-dimethylbutanamide (PubChem CID 140943328) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is (2R)-2-(difluoromethyl)-2,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-(difluoromethyl)-2,3-dimethylbutanamide
PubChem CID140943328
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name(2R)-2-(difluoromethyl)-2,3-dimethylbutanamide
SMILESCC(C)[C@](C)(C(N)=O)C(F)F
InChIInChI=1S/C7H13F2NO/c1-4(2)7(3,5(8)9)6(10)11/h4-5H,1-3H3,(H2,10,11)/t7-/m0/s1
InChIKeyWCXFIMPIWPIUNY-ZETCQYMHSA-N
XLogP1.40
TPSA43.09 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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyl-2-(trifluoromethyl)butanamide
CID 59458991
2,2,3-Trimethylbutanamide
CID 228075
3,3-Dimethyl-2-(trifluoromethyl)butanamide
CID 138970520
2-Methyl-4,4,4-trifluorobutyramide
CID 10080598
4,4,4-Trifluoro-2,2-dimethylbutanamide
CID 10080782
Butanamide, 4,4,4-trifluoro-3-methyl-
CID 11819257
2-(Trifluoromethyl)butanamide
CID 53943963
2-Fluoro-3,3-dimethylbutanamide
CID 59170338
(2S)-3-methyl-2-(trifluoromethyl)butanamide
CID 59458694
(2R)-3-methyl-2-(trifluoromethyl)butanamide
CID 59459107
(2R)-4,4,4-trifluoro-2-methylbutanamide
CID 71428068
4-Fluoro-2,2-dimethylbutanamide
CID 87253851

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(difluoromethyl)-2,3-dimethylbutanamide?
The IUPAC name of (2R)-2-(difluoromethyl)-2,3-dimethylbutanamide (CID 140943328) is (2R)-2-(difluoromethyl)-2,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-(difluoromethyl)-2,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-(difluoromethyl)-2,3-dimethylbutanamide is CC(C)[C@](C)(C(N)=O)C(F)F.
What is the InChIKey of (2R)-2-(difluoromethyl)-2,3-dimethylbutanamide?
The InChIKey is WCXFIMPIWPIUNY-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-4(2)7(3,5(8)9)6(10)11/h4-5H,1-3H3,(H2,10,11)/t7-/m0/s1.
What are the key properties of (2R)-2-(difluoromethyl)-2,3-dimethylbutanamide?
(2R)-2-(difluoromethyl)-2,3-dimethylbutanamide has a molecular weight of 165.18 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(difluoromethyl)-2,3-dimethylbutanamide is sourced from PubChem (CID 140943328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).