2,2-difluoro-N-(oxolan-3-ylmethyl)acetamide

C7H11F2NO2 — CID 103515423

IUPAC2,2-difluoro-N-(oxolan-3-ylmethyl)acetamide
SMILESO=C(NCC1CCOC1)C(F)F
InChIInChI=1S/C7H11F2NO2/c8-6(9)7(11)10-3-5-1-2-12-4-5/h5-6H,1-4H2,(H,10,11)
InChIKeyJIWJWLDFIMDKAQ-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.40
Rot. Bonds3

About 2,2-difluoro-N-(oxolan-3-ylmethyl)acetamide

2,2-difluoro-N-(oxolan-3-ylmethyl)acetamide (PubChem CID 103515423) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2,2-difluoro-N-(oxolan-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(oxolan-3-ylmethyl)acetamide
PubChem CID103515423
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name2,2-difluoro-N-(oxolan-3-ylmethyl)acetamide
SMILESO=C(NCC1CCOC1)C(F)F
InChIInChI=1S/C7H11F2NO2/c8-6(9)7(11)10-3-5-1-2-12-4-5/h5-6H,1-4H2,(H,10,11)
InChIKeyJIWJWLDFIMDKAQ-UHFFFAOYSA-N
XLogP0.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-N-(oxolan-3-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135
(2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 61179026
2-methyl-3-(methylamino)-N-(oxolan-3-ylmethyl)propanamide;hydrochloride
CID 119716813
2-cyano-N-(oxolan-3-ylmethyl)propanamide
CID 62825407
2-amino-4-methyl-N-(oxolan-3-ylmethyl)pentanamide
CID 60921018
2-(aminomethyl)-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 62822757
3,3-dimethyl-2-(oxolan-3-ylmethylcarbamoyl)butanoic acid
CID 116537103
2-oxo-2-(oxolan-3-ylmethylamino)acetic acid
CID 62824224
3-amino-2-methyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119716804
N-(oxolan-3-ylmethyl)but-2-enamide
CID 112727361
2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115581038
[(3S)-oxolan-3-yl]methylthiourea
CID 155092618

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(oxolan-3-ylmethyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(oxolan-3-ylmethyl)acetamide (CID 103515423) is 2,2-difluoro-N-(oxolan-3-ylmethyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(oxolan-3-ylmethyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(oxolan-3-ylmethyl)acetamide is O=C(NCC1CCOC1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(oxolan-3-ylmethyl)acetamide?
The InChIKey is JIWJWLDFIMDKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c8-6(9)7(11)10-3-5-1-2-12-4-5/h5-6H,1-4H2,(H,10,11).
What are the key properties of 2,2-difluoro-N-(oxolan-3-ylmethyl)acetamide?
2,2-difluoro-N-(oxolan-3-ylmethyl)acetamide has a molecular weight of 179.17 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(oxolan-3-ylmethyl)acetamide is sourced from PubChem (CID 103515423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).