2,2-difluoro-N-[(1-methylcyclopropyl)methyl]propanamide

C8H13F2NO — CID 131065134

IUPAC2,2-difluoro-N-[(1-methylcyclopropyl)methyl]propanamide
SMILESCC1(CNC(=O)C(C)(F)F)CC1
InChIInChI=1S/C8H13F2NO/c1-7(3-4-7)5-11-6(12)8(2,9)10/h3-5H2,1-2H3,(H,11,12)
InChIKeyZOBFBFLQJCPBFT-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.56
Rot. Bonds3

About 2,2-difluoro-N-[(1-methylcyclopropyl)methyl]propanamide

2,2-difluoro-N-[(1-methylcyclopropyl)methyl]propanamide (PubChem CID 131065134) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 2,2-difluoro-N-[(1-methylcyclopropyl)methyl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(1-methylcyclopropyl)methyl]propanamide
PubChem CID131065134
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name2,2-difluoro-N-[(1-methylcyclopropyl)methyl]propanamide
SMILESCC1(CNC(=O)C(C)(F)F)CC1
InChIInChI=1S/C8H13F2NO/c1-7(3-4-7)5-11-6(12)8(2,9)10/h3-5H2,1-2H3,(H,11,12)
InChIKeyZOBFBFLQJCPBFT-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Pentafluoropropanamide, N-3-methylbutyl-
CID 91727024
N-butyl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide
CID 4236019
(1R)-N-(cyclobutylmethyl)-2,2-difluoro-1-methylcyclopropane-1-carboxamide
CID 164636299
2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide
CID 20329250
N-(2-cyclopropylethyl)-3,3,3-trifluoropropanamide
CID 21916204
2,2,3,4,4,4-hexafluoro-N-(2,2,3,4,4,4-hexafluorobutyl)-3-methylbutanamide
CID 57042289
2,2-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 57530928
N-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 57580296
N-(3-methylbutyl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 57580307
N-(2-methylpropyl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 57580325
N-[(2S)-3-methylbutan-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 57580329
N-(2,2-difluoroethyl)-2,2-dimethylpropanamide
CID 57632522

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(1-methylcyclopropyl)methyl]propanamide?
The IUPAC name of 2,2-difluoro-N-[(1-methylcyclopropyl)methyl]propanamide (CID 131065134) is 2,2-difluoro-N-[(1-methylcyclopropyl)methyl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[(1-methylcyclopropyl)methyl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[(1-methylcyclopropyl)methyl]propanamide is CC1(CNC(=O)C(C)(F)F)CC1.
What is the InChIKey of 2,2-difluoro-N-[(1-methylcyclopropyl)methyl]propanamide?
The InChIKey is ZOBFBFLQJCPBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-7(3-4-7)5-11-6(12)8(2,9)10/h3-5H2,1-2H3,(H,11,12).
What are the key properties of 2,2-difluoro-N-[(1-methylcyclopropyl)methyl]propanamide?
2,2-difluoro-N-[(1-methylcyclopropyl)methyl]propanamide has a molecular weight of 177.19 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(1-methylcyclopropyl)methyl]propanamide is sourced from PubChem (CID 131065134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).