2,2-difluoro-N-(1-fluoro-3-hydroxypropan-2-yl)acetamide

C5H8F3NO2 — CID 91018474

IUPAC2,2-difluoro-N-(1-fluoro-3-hydroxypropan-2-yl)acetamide
SMILESO=C(NC(CO)CF)C(F)F
InChIInChI=1S/C5H8F3NO2/c6-1-3(2-10)9-5(11)4(7)8/h3-4,10H,1-2H2,(H,9,11)
InChIKeyOOTOTBUVRSGWDX-UHFFFAOYSA-N
MW171.12 g/mol
LogP-0.30
Rot. Bonds4

About 2,2-difluoro-N-(1-fluoro-3-hydroxypropan-2-yl)acetamide

2,2-difluoro-N-(1-fluoro-3-hydroxypropan-2-yl)acetamide (PubChem CID 91018474) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is 2,2-difluoro-N-(1-fluoro-3-hydroxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(1-fluoro-3-hydroxypropan-2-yl)acetamide
PubChem CID91018474
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name2,2-difluoro-N-(1-fluoro-3-hydroxypropan-2-yl)acetamide
SMILESO=C(NC(CO)CF)C(F)F
InChIInChI=1S/C5H8F3NO2/c6-1-3(2-10)9-5(11)4(7)8/h3-4,10H,1-2H2,(H,9,11)
InChIKeyOOTOTBUVRSGWDX-UHFFFAOYSA-N
XLogP-0.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Trifluoroacetyl-2-aminoethanol
CID 95211
N-(3-Hydroxypropyl)trifluoroacetamide
CID 1987732
N-(1,3-dihydroxypropan-2-yl)acetamide
CID 11804802
N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 14511499
Trifluoracetamidopropanol
CID 129757391
Acetamide, 2,2,2-trifluoro-N-[(1S)-2-hydroxy-1-methylethyl]-
CID 13774518
N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 12497496
2,2,2-trifluoro-N-(1-hydroxybutan-2-yl)acetamide
CID 3397679
N-[(2S)-2-amino-3-hydroxypropyl]-2,2,2-trifluoroacetamide
CID 10631392
2,2,2-Trifluoro-N-(1-hydroxypropan-2-yl)acetamide
CID 13774517
2,2,2-trifluoro-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 14511495
2,2,2-trifluoro-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 14511496

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(1-fluoro-3-hydroxypropan-2-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(1-fluoro-3-hydroxypropan-2-yl)acetamide (CID 91018474) is 2,2-difluoro-N-(1-fluoro-3-hydroxypropan-2-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(1-fluoro-3-hydroxypropan-2-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(1-fluoro-3-hydroxypropan-2-yl)acetamide is O=C(NC(CO)CF)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(1-fluoro-3-hydroxypropan-2-yl)acetamide?
The InChIKey is OOTOTBUVRSGWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c6-1-3(2-10)9-5(11)4(7)8/h3-4,10H,1-2H2,(H,9,11).
What are the key properties of 2,2-difluoro-N-(1-fluoro-3-hydroxypropan-2-yl)acetamide?
2,2-difluoro-N-(1-fluoro-3-hydroxypropan-2-yl)acetamide has a molecular weight of 171.12 g/mol, XLogP of -0.30, 4 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-fluoro-3-hydroxypropan-2-yl)acetamide is sourced from PubChem (CID 91018474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).