2,2-difluoro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide

C7H13F2NO2 — CID 103513963

IUPAC2,2-difluoro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(CO)NC(=O)C(F)F
InChIInChI=1S/C7H13F2NO2/c1-4(2)5(3-11)10-7(12)6(8)9/h4-6,11H,3H2,1-2H3,(H,10,12)
InChIKeyGGWSPXHRWHEWFO-UHFFFAOYSA-N
MW181.18 g/mol
LogP0.38
Rot. Bonds4

About 2,2-difluoro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide

2,2-difluoro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide (PubChem CID 103513963) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is 2,2-difluoro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
PubChem CID103513963
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC Name2,2-difluoro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(CO)NC(=O)C(F)F
InChIInChI=1S/C7H13F2NO2/c1-4(2)5(3-11)10-7(12)6(8)9/h4-6,11H,3H2,1-2H3,(H,10,12)
InChIKeyGGWSPXHRWHEWFO-UHFFFAOYSA-N
XLogP0.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide
CID 39086818
2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide
CID 79248858
2-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 79252281
2-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 79252016
(2S)-2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 79250278
N-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-2-(methylamino)propanamide
CID 79250627
3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79247363
N-(1-hydroxy-3-methylbutan-2-yl)-2-methylpent-4-enamide
CID 13435877
2-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pentanamide
CID 79249157
N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 74554703
2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79249423
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide
CID 39086823

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide (CID 103513963) is 2,2-difluoro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide is CC(C)C(CO)NC(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The InChIKey is GGWSPXHRWHEWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2/c1-4(2)5(3-11)10-7(12)6(8)9/h4-6,11H,3H2,1-2H3,(H,10,12).
What are the key properties of 2,2-difluoro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
2,2-difluoro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide has a molecular weight of 181.18 g/mol, XLogP of 0.38, 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-hydroxy-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 103513963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).