N-[cyano(cyclopropyl)methyl]-2,2-difluoroacetamide

C7H8F2N2O — CID 103513774

IUPACN-[cyano(cyclopropyl)methyl]-2,2-difluoroacetamide
SMILESN#CC(NC(=O)C(F)F)C1CC1
InChIInChI=1S/C7H8F2N2O/c8-6(9)7(12)11-5(3-10)4-1-2-4/h4-6H,1-2H2,(H,11,12)
InChIKeySAKIWIUKCXOKOC-UHFFFAOYSA-N
MW174.15 g/mol
LogP0.67
Rot. Bonds3

About N-[cyano(cyclopropyl)methyl]-2,2-difluoroacetamide

N-[cyano(cyclopropyl)methyl]-2,2-difluoroacetamide (PubChem CID 103513774) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is N-[cyano(cyclopropyl)methyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[cyano(cyclopropyl)methyl]-2,2-difluoroacetamide
PubChem CID103513774
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC NameN-[cyano(cyclopropyl)methyl]-2,2-difluoroacetamide
SMILESN#CC(NC(=O)C(F)F)C1CC1
InChIInChI=1S/C7H8F2N2O/c8-6(9)7(12)11-5(3-10)4-1-2-4/h4-6H,1-2H2,(H,11,12)
InChIKeySAKIWIUKCXOKOC-UHFFFAOYSA-N
XLogP0.67
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(S)-cyano(cyclopropyl)methyl]-2-methylpropanamide
CID 170087415
N-[cyano(cyclopropyl)methyl]-3,3,3-trifluoropropanamide
CID 63821426
N-[cyano(cyclohexyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309839
N-[cyano(cyclopropyl)methyl]cyclopentanecarboxamide
CID 63821048
trans-(1R,2R)-N-[cyano(cyclopropyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 131201811
2-chloro-N-[cyano(cyclopropyl)methyl]-4-fluorobenzamide
CID 63821612
N-[cyano(cyclopropyl)methyl]-2-(2-fluorophenyl)acetamide
CID 63822321
N-[cyano(cyclopropyl)methyl]benzamide
CID 54594318
N-[cyano(cyclopropyl)methyl]-3,4,4-trimethylpentanamide
CID 63822324
cis-(1S,2R)-2-N-[(S)-cyano(cyclopropyl)methyl]cyclohexane-1,2-dicarboxamide
CID 20740195
methyl N-[cyano(cyclohexyl)methyl]carbamate
CID 61124825
N-[cyano(cyclopropyl)methyl]-3,4-difluorobenzamide
CID 63821791

Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclopropyl)methyl]-2,2-difluoroacetamide?
The IUPAC name of N-[cyano(cyclopropyl)methyl]-2,2-difluoroacetamide (CID 103513774) is N-[cyano(cyclopropyl)methyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[cyano(cyclopropyl)methyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[cyano(cyclopropyl)methyl]-2,2-difluoroacetamide is N#CC(NC(=O)C(F)F)C1CC1.
What is the InChIKey of N-[cyano(cyclopropyl)methyl]-2,2-difluoroacetamide?
The InChIKey is SAKIWIUKCXOKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c8-6(9)7(12)11-5(3-10)4-1-2-4/h4-6H,1-2H2,(H,11,12).
What are the key properties of N-[cyano(cyclopropyl)methyl]-2,2-difluoroacetamide?
N-[cyano(cyclopropyl)methyl]-2,2-difluoroacetamide has a molecular weight of 174.15 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclopropyl)methyl]-2,2-difluoroacetamide is sourced from PubChem (CID 103513774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).