2,2-difluoro-N-(1-hydroxypropan-2-yl)propanamide

C6H11F2NO2 — CID 126988442

IUPAC2,2-difluoro-N-(1-hydroxypropan-2-yl)propanamide
SMILESCC(CO)NC(=O)C(C)(F)F
InChIInChI=1S/C6H11F2NO2/c1-4(3-10)9-5(11)6(2,7)8/h4,10H,3H2,1-2H3,(H,9,11)
InChIKeyHMLIXCNFHICEHG-UHFFFAOYSA-N
MW167.15 g/mol
LogP0.14
Rot. Bonds3

About 2,2-difluoro-N-(1-hydroxypropan-2-yl)propanamide

2,2-difluoro-N-(1-hydroxypropan-2-yl)propanamide (PubChem CID 126988442) has the molecular formula C6H11F2NO2 and a molecular weight of 167.15 g/mol. Its IUPAC name is 2,2-difluoro-N-(1-hydroxypropan-2-yl)propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-(1-hydroxypropan-2-yl)propanamide
PubChem CID126988442
Molecular FormulaC6H11F2NO2
Molecular Weight167.15 g/mol
Exact Mass167.08
IUPAC Name2,2-difluoro-N-(1-hydroxypropan-2-yl)propanamide
SMILESCC(CO)NC(=O)C(C)(F)F
InChIInChI=1S/C6H11F2NO2/c1-4(3-10)9-5(11)6(2,7)8/h4,10H,3H2,1-2H3,(H,9,11)
InChIKeyHMLIXCNFHICEHG-UHFFFAOYSA-N
XLogP0.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxypropan-2-yl)-2,2-dimethylbutanamide
CID 62677681
2,2-difluoro-N-propan-2-ylpropanamide
CID 130495307
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2,2,3-trimethylbutanamide
CID 107218704
2-(tert-butylamino)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 107218468
[(2S)-1-hydroxypropan-2-yl]carbamic acid
CID 87508114
4-amino-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpentanamide
CID 107219055
N-[(2R)-1-aminopropan-2-yl]-2-fluoro-2-methylpropanamide
CID 130562063
N-[(2R)-1-hydroxypropan-2-yl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 107218513
1-[(2S)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 51983515
1-[(2S)-1-hydroxypropan-2-yl]-3-propan-2-ylurea
CID 79023677
1,1,3-tris(1-hydroxypropan-2-yl)urea
CID 139645368
1-[(2S)-1-hydroxypropan-2-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 79023676

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(1-hydroxypropan-2-yl)propanamide?
The IUPAC name of 2,2-difluoro-N-(1-hydroxypropan-2-yl)propanamide (CID 126988442) is 2,2-difluoro-N-(1-hydroxypropan-2-yl)propanamide.
What is the SMILES notation for 2,2-difluoro-N-(1-hydroxypropan-2-yl)propanamide?
The canonical SMILES for 2,2-difluoro-N-(1-hydroxypropan-2-yl)propanamide is CC(CO)NC(=O)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-N-(1-hydroxypropan-2-yl)propanamide?
The InChIKey is HMLIXCNFHICEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2/c1-4(3-10)9-5(11)6(2,7)8/h4,10H,3H2,1-2H3,(H,9,11).
What are the key properties of 2,2-difluoro-N-(1-hydroxypropan-2-yl)propanamide?
2,2-difluoro-N-(1-hydroxypropan-2-yl)propanamide has a molecular weight of 167.15 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(1-hydroxypropan-2-yl)propanamide is sourced from PubChem (CID 126988442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).