2,2-difluoro-3-methyl-N-propan-2-ylbutanamide

C8H15F2NO — CID 170077230

IUPAC2,2-difluoro-3-methyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(F)(F)C(C)C
InChIInChI=1S/C8H15F2NO/c1-5(2)8(9,10)7(12)11-6(3)4/h5-6H,1-4H3,(H,11,12)
InChIKeyKDMJZUYHXYQBEE-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.80
Rot. Bonds3

About 2,2-difluoro-3-methyl-N-propan-2-ylbutanamide

2,2-difluoro-3-methyl-N-propan-2-ylbutanamide (PubChem CID 170077230) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2,2-difluoro-3-methyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2,2-difluoro-3-methyl-N-propan-2-ylbutanamide
PubChem CID170077230
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2,2-difluoro-3-methyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(F)(F)C(C)C
InChIInChI=1S/C8H15F2NO/c1-5(2)8(9,10)7(12)11-6(3)4/h5-6H,1-4H3,(H,11,12)
InChIKeyKDMJZUYHXYQBEE-UHFFFAOYSA-N
XLogP1.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-N-propan-2-ylpropanamide
CID 130495307
2,2,3,3,4,4,5,5-octafluoro-N,N'-di(propan-2-yl)hexanediamide
CID 3089678
2,2-dimethyl-N,N'-di(propan-2-yl)propanediamide
CID 108957169
3,3-difluoro-4-methyl-2-oxopentanoic acid
CID 10261433
2-methyl-2-(methylamino)-N-propan-2-ylpropanamide
CID 62835801
3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide
CID 130717889
(2R)-3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide
CID 138551992
2,2,4-trimethyl-N-propan-2-ylpentanamide
CID 126707660
1-methyl-3-propan-2-yl-1-(trifluoromethyl)urea
CID 166564956
methyl (3S)-2,2,3-trifluorobutanoate
CID 139504905
2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide
CID 22561436
N-(1-cyclobutylethyl)-2,2,2-trifluoroacetamide
CID 115769035

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-methyl-N-propan-2-ylbutanamide?
The IUPAC name of 2,2-difluoro-3-methyl-N-propan-2-ylbutanamide (CID 170077230) is 2,2-difluoro-3-methyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 2,2-difluoro-3-methyl-N-propan-2-ylbutanamide?
The canonical SMILES for 2,2-difluoro-3-methyl-N-propan-2-ylbutanamide is CC(C)NC(=O)C(F)(F)C(C)C.
What is the InChIKey of 2,2-difluoro-3-methyl-N-propan-2-ylbutanamide?
The InChIKey is KDMJZUYHXYQBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-5(2)8(9,10)7(12)11-6(3)4/h5-6H,1-4H3,(H,11,12).
What are the key properties of 2,2-difluoro-3-methyl-N-propan-2-ylbutanamide?
2,2-difluoro-3-methyl-N-propan-2-ylbutanamide has a molecular weight of 179.21 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 170077230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).