2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide

C10H10F3NO — CID 103600519

IUPAC2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1cccc(F)c1)C(=O)C(F)F
InChIInChI=1S/C10H10F3NO/c1-14(10(15)9(12)13)6-7-3-2-4-8(11)5-7/h2-5,9H,6H2,1H3
InChIKeyDFSWMZNPYPUNRB-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.05
Rot. Bonds3

About 2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide

2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 103600519) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
PubChem CID103600519
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1cccc(F)c1)C(=O)C(F)F
InChIInChI=1S/C10H10F3NO/c1-14(10(15)9(12)13)6-7-3-2-4-8(11)5-7/h2-5,9H,6H2,1H3
InChIKeyDFSWMZNPYPUNRB-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide 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-amino-3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 115179409
2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 43211988
2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 60516816
3-[(3-fluorophenyl)methyl-methylamino]-2-(methylamino)-3-oxopropanoic acid
CID 115189481
2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 86985470
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 28802517
2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 43211990
3-amino-N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylpropanamide
CID 106111202
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide
CID 103830963
4-amino-5-[(3-fluorophenyl)methyl-methylamino]-5-oxopentanoic acid
CID 64895214
3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119911679
1-cyano-N-[(3-fluorophenyl)methyl]-N-methylformamide
CID 115172406

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide (CID 103600519) is 2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1cccc(F)c1)C(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is DFSWMZNPYPUNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-14(10(15)9(12)13)6-7-3-2-4-8(11)5-7/h2-5,9H,6H2,1H3.
What are the key properties of 2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 217.19 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 103600519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).