2,2-difluoro-N-(1-hydroxypentan-3-yl)acetamide

C7H13F2NO2 — CID 103513993

IUPAC2,2-difluoro-N-(1-hydroxypentan-3-yl)acetamide
SMILESCCC(CCO)NC(=O)C(F)F
InChIInChI=1S/C7H13F2NO2/c1-2-5(3-4-11)10-7(12)6(8)9/h5-6,11H,2-4H2,1H3,(H,10,12)
InChIKeyCKOKKHRYNXSUTH-UHFFFAOYSA-N
MW181.18 g/mol
LogP0.53
Rot. Bonds5

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

2,2-difluoro-N-(1-hydroxypentan-3-yl)acetamide (PubChem CID 103513993) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is 2,2-difluoro-N-(1-hydroxypentan-3-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(1-hydroxypentan-3-yl)acetamide
PubChem CID103513993
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC Name2,2-difluoro-N-(1-hydroxypentan-3-yl)acetamide
SMILESCCC(CCO)NC(=O)C(F)F
InChIInChI=1S/C7H13F2NO2/c1-2-5(3-4-11)10-7(12)6(8)9/h5-6,11H,2-4H2,1H3,(H,10,12)
InChIKeyCKOKKHRYNXSUTH-UHFFFAOYSA-N
XLogP0.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-(1-hydroxypentan-3-yl)propanamide
CID 115767204
N-(1,4-dihydroxybutan-2-yl)-2-methylbutanamide
CID 59861010
2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-3-methylbutanamide
CID 113341041
N-(6-bromo-5-oxohexan-3-yl)-2,2-difluoroacetamide
CID 103516372
(2S)-2-[(2,2-difluoroacetyl)amino]butanoic acid
CID 103513419
N-(1-aminopentan-2-yl)-2,2-difluoroacetamide
CID 103514193
N-(1-hydroxypentan-3-yl)-4,4-dimethylpentanamide
CID 109479134
2,2-difluoro-N-(5-hydroxypentan-2-yl)acetamide
CID 103513967
N-(1-hydroxypentan-3-yl)but-2-ynamide
CID 107262074
2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-2-phenylacetamide
CID 115776830
N'-(1-hydroxypentan-3-yl)-N-(2,4,6-trifluorophenyl)oxamide
CID 111798998
3-(1-hydroxypentan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103551207

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(1-hydroxypentan-3-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(1-hydroxypentan-3-yl)acetamide (CID 103513993) is 2,2-difluoro-N-(1-hydroxypentan-3-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(1-hydroxypentan-3-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(1-hydroxypentan-3-yl)acetamide is CCC(CCO)NC(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(1-hydroxypentan-3-yl)acetamide?
The InChIKey is CKOKKHRYNXSUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2/c1-2-5(3-4-11)10-7(12)6(8)9/h5-6,11H,2-4H2,1H3,(H,10,12).
What are the key properties of 2,2-difluoro-N-(1-hydroxypentan-3-yl)acetamide?
2,2-difluoro-N-(1-hydroxypentan-3-yl)acetamide has a molecular weight of 181.18 g/mol, XLogP of 0.53, 5 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-hydroxypentan-3-yl)acetamide is sourced from PubChem (CID 103513993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).