2-cyano-N-[3-(1,1-difluoroethyl)phenyl]acetamide

C11H10F2N2O — CID 126785808

IUPAC2-cyano-N-[3-(1,1-difluoroethyl)phenyl]acetamide
SMILESCC(F)(F)c1cccc(NC(=O)CC#N)c1
InChIInChI=1S/C11H10F2N2O/c1-11(12,13)8-3-2-4-9(7-8)15-10(16)5-6-14/h2-4,7H,5H2,1H3,(H,15,16)
InChIKeyVUSTVFHIDNSXDI-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.65
Rot. Bonds3

About 2-cyano-N-[3-(1,1-difluoroethyl)phenyl]acetamide

2-cyano-N-[3-(1,1-difluoroethyl)phenyl]acetamide (PubChem CID 126785808) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-cyano-N-[3-(1,1-difluoroethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-(1,1-difluoroethyl)phenyl]acetamide
PubChem CID126785808
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name2-cyano-N-[3-(1,1-difluoroethyl)phenyl]acetamide
SMILESCC(F)(F)c1cccc(NC(=O)CC#N)c1
InChIInChI=1S/C11H10F2N2O/c1-11(12,13)8-3-2-4-9(7-8)15-10(16)5-6-14/h2-4,7H,5H2,1H3,(H,15,16)
InChIKeyVUSTVFHIDNSXDI-UHFFFAOYSA-N
XLogP2.65
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1,1-difluoroethyl)phenyl]-2-hydroxyacetamide
CID 126784306
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165
2-cyano-N-[3-(trifluoromethylsulfanyl)phenyl]acetamide
CID 168524340
N-(3-bromophenyl)-2-cyanoacetamide
CID 846049
2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide
CID 168520968
potassium;3-[(2-cyanoacetyl)amino]benzenesulfonic acid;hydride
CID 173377668
2-cyano-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 168520366
2-cyano-N-[3-(trifluoromethyl)phenyl]ethanethioamide
CID 57174793
2-cyano-N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide
CID 108922788
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-cyano-N-(3-pyrimidin-2-ylphenyl)acetamide
CID 168521501
2-cyano-N-[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]acetamide
CID 108922770

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-(1,1-difluoroethyl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[3-(1,1-difluoroethyl)phenyl]acetamide (CID 126785808) is 2-cyano-N-[3-(1,1-difluoroethyl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-(1,1-difluoroethyl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-(1,1-difluoroethyl)phenyl]acetamide is CC(F)(F)c1cccc(NC(=O)CC#N)c1.
What is the InChIKey of 2-cyano-N-[3-(1,1-difluoroethyl)phenyl]acetamide?
The InChIKey is VUSTVFHIDNSXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-11(12,13)8-3-2-4-9(7-8)15-10(16)5-6-14/h2-4,7H,5H2,1H3,(H,15,16).
What are the key properties of 2-cyano-N-[3-(1,1-difluoroethyl)phenyl]acetamide?
2-cyano-N-[3-(1,1-difluoroethyl)phenyl]acetamide has a molecular weight of 224.21 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-(1,1-difluoroethyl)phenyl]acetamide is sourced from PubChem (CID 126785808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).