2,2-difluoro-N-(3-hydroxy-2,2-dimethylpropyl)acetamide

C7H13F2NO2 — CID 103513975

IUPAC2,2-difluoro-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
SMILESCC(C)(CO)CNC(=O)C(F)F
InChIInChI=1S/C7H13F2NO2/c1-7(2,4-11)3-10-6(12)5(8)9/h5,11H,3-4H2,1-2H3,(H,10,12)
InChIKeyLLPOYSGTXYZDNQ-UHFFFAOYSA-N
MW181.18 g/mol
LogP0.39
Rot. Bonds4

About 2,2-difluoro-N-(3-hydroxy-2,2-dimethylpropyl)acetamide

2,2-difluoro-N-(3-hydroxy-2,2-dimethylpropyl)acetamide (PubChem CID 103513975) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is 2,2-difluoro-N-(3-hydroxy-2,2-dimethylpropyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
PubChem CID103513975
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC Name2,2-difluoro-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
SMILESCC(C)(CO)CNC(=O)C(F)F
InChIInChI=1S/C7H13F2NO2/c1-7(2,4-11)3-10-6(12)5(8)9/h5,11H,3-4H2,1-2H3,(H,10,12)
InChIKeyLLPOYSGTXYZDNQ-UHFFFAOYSA-N
XLogP0.39
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 ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 115360252
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2-difluoroacetamide
CID 107168157
(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3,3-dimethylbutanamide
CID 115360318
N-[2-(dimethylamino)-2-methylpropyl]-2,2-difluoroacetamide
CID 103600685
2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3,3-dimethyl-4-(methylamino)butanamide
CID 153323894
2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-methoxypropanamide
CID 115360310
2-(dimethylamino)-2-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 72839369
2-(azetidin-3-yl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 116678630
2-chloro-N-(2,2,2-trifluoroethyl)butanamide
CID 90734304
ethyl 2-[(2,2-difluoroacetyl)amino]acetate
CID 103514329
4-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-oxobutanoic acid
CID 110465776
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571452

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(3-hydroxy-2,2-dimethylpropyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(3-hydroxy-2,2-dimethylpropyl)acetamide (CID 103513975) is 2,2-difluoro-N-(3-hydroxy-2,2-dimethylpropyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(3-hydroxy-2,2-dimethylpropyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(3-hydroxy-2,2-dimethylpropyl)acetamide is CC(C)(CO)CNC(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(3-hydroxy-2,2-dimethylpropyl)acetamide?
The InChIKey is LLPOYSGTXYZDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2/c1-7(2,4-11)3-10-6(12)5(8)9/h5,11H,3-4H2,1-2H3,(H,10,12).
What are the key properties of 2,2-difluoro-N-(3-hydroxy-2,2-dimethylpropyl)acetamide?
2,2-difluoro-N-(3-hydroxy-2,2-dimethylpropyl)acetamide has a molecular weight of 181.18 g/mol, XLogP of 0.39, 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-(3-hydroxy-2,2-dimethylpropyl)acetamide is sourced from PubChem (CID 103513975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).