3,3-difluoro-N-propan-2-ylpropanamide

C6H11F2NO — CID 177328037

IUPAC3,3-difluoro-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CC(F)F
InChIInChI=1S/C6H11F2NO/c1-4(2)9-6(10)3-5(7)8/h4-5H,3H2,1-2H3,(H,9,10)
InChIKeyQYVJMPNAFCBVKG-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.17
Rot. Bonds3

About 3,3-difluoro-N-propan-2-ylpropanamide

3,3-difluoro-N-propan-2-ylpropanamide (PubChem CID 177328037) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 3,3-difluoro-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3,3-difluoro-N-propan-2-ylpropanamide
PubChem CID177328037
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name3,3-difluoro-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CC(F)F
InChIInChI=1S/C6H11F2NO/c1-4(2)9-6(10)3-5(7)8/h4-5H,3H2,1-2H3,(H,9,10)
InChIKeyQYVJMPNAFCBVKG-UHFFFAOYSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-sec-Butylacetamide
CID 347477
2,2,2-Trifluoro-N-isopropylacetamide
CID 2305253
N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 4218327
N-Butyltrifluoroacetamide
CID 283366
n-Butyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 614617
2,2,3,3,4,4,4-Heptafluoro-n-propylbutanamide
CID 614782
N-(2-Butyl)heptafluorobutyramide
CID 617516
Isopropylpropionamid
CID 347475
2,2,2-Trifluoro-n-propylacetamide
CID 580996
Acetamide, 2,2,2-trifluoro-N-(2-methylpropyl)-
CID 581281
2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825
2,2,2-Trifluoro-n-pentylacetamide
CID 580920

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-propan-2-ylpropanamide?
The IUPAC name of 3,3-difluoro-N-propan-2-ylpropanamide (CID 177328037) is 3,3-difluoro-N-propan-2-ylpropanamide.
What is the SMILES notation for 3,3-difluoro-N-propan-2-ylpropanamide?
The canonical SMILES for 3,3-difluoro-N-propan-2-ylpropanamide is CC(C)NC(=O)CC(F)F.
What is the InChIKey of 3,3-difluoro-N-propan-2-ylpropanamide?
The InChIKey is QYVJMPNAFCBVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-4(2)9-6(10)3-5(7)8/h4-5H,3H2,1-2H3,(H,9,10).
What are the key properties of 3,3-difluoro-N-propan-2-ylpropanamide?
3,3-difluoro-N-propan-2-ylpropanamide has a molecular weight of 151.16 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-propan-2-ylpropanamide is sourced from PubChem (CID 177328037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).