2-cyano-N-(2,2-difluoropropyl)propanamide

C7H10F2N2O — CID 143242049

IUPAC2-cyano-N-(2,2-difluoropropyl)propanamide
SMILESCC(C#N)C(=O)NCC(C)(F)F
InChIInChI=1S/C7H10F2N2O/c1-5(3-10)6(12)11-4-7(2,8)9/h5H,4H2,1-2H3,(H,11,12)
InChIKeyYVSPHKDEKOHANI-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.92
Rot. Bonds3

About 2-cyano-N-(2,2-difluoropropyl)propanamide

2-cyano-N-(2,2-difluoropropyl)propanamide (PubChem CID 143242049) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-cyano-N-(2,2-difluoropropyl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(2,2-difluoropropyl)propanamide
PubChem CID143242049
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name2-cyano-N-(2,2-difluoropropyl)propanamide
SMILESCC(C#N)C(=O)NCC(C)(F)F
InChIInChI=1S/C7H10F2N2O/c1-5(3-10)6(12)11-4-7(2,8)9/h5H,4H2,1-2H3,(H,11,12)
InChIKeyYVSPHKDEKOHANI-UHFFFAOYSA-N
XLogP0.92
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoropropyl)-2-methylpropanamide
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2-cyano-N-ethylpropanamide
CID 23199183
2,2-difluoropropylurea
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2-cyano-N-[(3,3-difluorocyclobutyl)methyl]propanamide
CID 131181775
2-cyano-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
CID 115968634
2-cyano-N-(2-cyanobutan-2-yl)propanamide
CID 131175736
2-(2-cyanopropanoylamino)ethyl carbamate
CID 83210393
2-cyano-N-(2-methylsulfinylpropyl)propanamide
CID 115764505
propan-2-yl N-(2,2-difluoropropyl)carbamate
CID 139305684
(2R)-N-(2-cyano-2-methylpropyl)-2-hydroxypropanamide
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2-cyano-N-[(1-methylcyclopentyl)methyl]propanamide
CID 63829788

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,2-difluoropropyl)propanamide?
The IUPAC name of 2-cyano-N-(2,2-difluoropropyl)propanamide (CID 143242049) is 2-cyano-N-(2,2-difluoropropyl)propanamide.
What is the SMILES notation for 2-cyano-N-(2,2-difluoropropyl)propanamide?
The canonical SMILES for 2-cyano-N-(2,2-difluoropropyl)propanamide is CC(C#N)C(=O)NCC(C)(F)F.
What is the InChIKey of 2-cyano-N-(2,2-difluoropropyl)propanamide?
The InChIKey is YVSPHKDEKOHANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c1-5(3-10)6(12)11-4-7(2,8)9/h5H,4H2,1-2H3,(H,11,12).
What are the key properties of 2-cyano-N-(2,2-difluoropropyl)propanamide?
2-cyano-N-(2,2-difluoropropyl)propanamide has a molecular weight of 176.17 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,2-difluoropropyl)propanamide is sourced from PubChem (CID 143242049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).