N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide

C8H15F2NO — CID 167316537

IUPACN-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NC(C)(CF)CF
InChIInChI=1S/C8H15F2NO/c1-6(2)7(12)11-8(3,4-9)5-10/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyDOUQGAJYXKIWAF-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.46
Rot. Bonds4

About N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide

N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide (PubChem CID 167316537) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide
PubChem CID167316537
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC NameN-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NC(C)(CF)CF
InChIInChI=1S/C8H15F2NO/c1-6(2)7(12)11-8(3,4-9)5-10/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyDOUQGAJYXKIWAF-UHFFFAOYSA-N
XLogP1.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-methylpropanamide;ethane
CID 143588307
N-tert-butyl-2-methylpropanamide;bis(N-ethyl-2-methylpropanamide)
CID 160609422
ethane;2-methyl-2-(2-methylpropanoylamino)propanoic acid
CID 142311120
N-(2,2-difluoropropyl)-2-methylpropanamide
CID 130436254
2,2-dimethyl-N-(2-methylpropanoyl)propanamide
CID 130010818
methyl (2R)-3-iodo-2-methyl-2-(2-methylpropanoylamino)propanoate
CID 101206393
N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-methylpropanamide
CID 167316538
N-[4-(3,3-dimethylbutoxy)-2-methylbutan-2-yl]-2-methylpropanamide
CID 139317240
(2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide
CID 64549101
2-methyl-N-[2-methyl-4-[2-methyl-1-(methylamino)propan-2-yl]oxybutan-2-yl]propanamide
CID 177202356
(2S)-2-amino-3-methyl-N-(3-methylpentan-3-yl)butanamide
CID 106328618
N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methyl-2-sulfanylbutanamide
CID 107033569

Frequently Asked Questions

What is the IUPAC name of N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide?
The IUPAC name of N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide (CID 167316537) is N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide is CC(C)C(=O)NC(C)(CF)CF.
What is the InChIKey of N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide?
The InChIKey is DOUQGAJYXKIWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6(2)7(12)11-8(3,4-9)5-10/h6H,4-5H2,1-3H3,(H,11,12).
What are the key properties of N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide?
N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide has a molecular weight of 179.21 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide is sourced from PubChem (CID 167316537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).