2,2-difluoro-N-[(2S)-4-hydroxybutan-2-yl]acetamide

C6H11F2NO2 — CID 131222905

IUPAC2,2-difluoro-N-[(2S)-4-hydroxybutan-2-yl]acetamide
SMILESC[C@@H](CCO)NC(=O)C(F)F
InChIInChI=1S/C6H11F2NO2/c1-4(2-3-10)9-6(11)5(7)8/h4-5,10H,2-3H2,1H3,(H,9,11)/t4-/m0/s1
InChIKeyBHVGZVYASBWPDU-BYPYZUCNSA-N
MW167.15 g/mol
LogP0.14
Rot. Bonds4

About 2,2-difluoro-N-[(2S)-4-hydroxybutan-2-yl]acetamide

2,2-difluoro-N-[(2S)-4-hydroxybutan-2-yl]acetamide (PubChem CID 131222905) has the molecular formula C6H11F2NO2 and a molecular weight of 167.15 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2S)-4-hydroxybutan-2-yl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(2S)-4-hydroxybutan-2-yl]acetamide
PubChem CID131222905
Molecular FormulaC6H11F2NO2
Molecular Weight167.15 g/mol
Exact Mass167.08
IUPAC Name2,2-difluoro-N-[(2S)-4-hydroxybutan-2-yl]acetamide
SMILESC[C@@H](CCO)NC(=O)C(F)F
InChIInChI=1S/C6H11F2NO2/c1-4(2-3-10)9-6(11)5(7)8/h4-5,10H,2-3H2,1H3,(H,9,11)/t4-/m0/s1
InChIKeyBHVGZVYASBWPDU-BYPYZUCNSA-N
XLogP0.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-(3-Hydroxypropyl)trifluoroacetamide
CID 1987732
N-(3-hydroxypropyl)acetamide
CID 2781177
N-(4-Hydroxybutyl)trifluoroacetamide
CID 3586224
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
N-(1,3-dihydroxybutan-2-yl)-2,2,2-trifluoroacetamide
CID 15540004
2-Trifluoroacetylamino-1,3-propanediol
CID 15540009
N-(1,3-dihydroxypropyl)-2,2,2-trifluoroacetamide
CID 20374862

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(2S)-4-hydroxybutan-2-yl]acetamide?
The IUPAC name of 2,2-difluoro-N-[(2S)-4-hydroxybutan-2-yl]acetamide (CID 131222905) is 2,2-difluoro-N-[(2S)-4-hydroxybutan-2-yl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[(2S)-4-hydroxybutan-2-yl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[(2S)-4-hydroxybutan-2-yl]acetamide is C[C@@H](CCO)NC(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[(2S)-4-hydroxybutan-2-yl]acetamide?
The InChIKey is BHVGZVYASBWPDU-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11F2NO2/c1-4(2-3-10)9-6(11)5(7)8/h4-5,10H,2-3H2,1H3,(H,9,11)/t4-/m0/s1.
What are the key properties of 2,2-difluoro-N-[(2S)-4-hydroxybutan-2-yl]acetamide?
2,2-difluoro-N-[(2S)-4-hydroxybutan-2-yl]acetamide has a molecular weight of 167.15 g/mol, XLogP of 0.14, 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-[(2S)-4-hydroxybutan-2-yl]acetamide is sourced from PubChem (CID 131222905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).