N-cyclopropyl-N-(2,2-difluoroethyl)formamide

C6H9F2NO — CID 131163091

IUPACN-cyclopropyl-N-(2,2-difluoroethyl)formamide
SMILESO=CN(CC(F)F)C1CC1
InChIInChI=1S/C6H9F2NO/c7-6(8)3-9(4-10)5-1-2-5/h4-6H,1-3H2
InChIKeyJIDFIBWYIWSQAC-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.87
Rot. Bonds4

About N-cyclopropyl-N-(2,2-difluoroethyl)formamide

N-cyclopropyl-N-(2,2-difluoroethyl)formamide (PubChem CID 131163091) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is N-cyclopropyl-N-(2,2-difluoroethyl)formamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2,2-difluoroethyl)formamide
PubChem CID131163091
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC NameN-cyclopropyl-N-(2,2-difluoroethyl)formamide
SMILESO=CN(CC(F)F)C1CC1
InChIInChI=1S/C6H9F2NO/c7-6(8)3-9(4-10)5-1-2-5/h4-6H,1-3H2
InChIKeyJIDFIBWYIWSQAC-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-cyclopropyl-N-(2,2-difluoroethyl)formamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2,2-difluoroethyl)formamide?
The IUPAC name of N-cyclopropyl-N-(2,2-difluoroethyl)formamide (CID 131163091) is N-cyclopropyl-N-(2,2-difluoroethyl)formamide.
What is the SMILES notation for N-cyclopropyl-N-(2,2-difluoroethyl)formamide?
The canonical SMILES for N-cyclopropyl-N-(2,2-difluoroethyl)formamide is O=CN(CC(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2,2-difluoroethyl)formamide?
The InChIKey is JIDFIBWYIWSQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c7-6(8)3-9(4-10)5-1-2-5/h4-6H,1-3H2.
What are the key properties of N-cyclopropyl-N-(2,2-difluoroethyl)formamide?
N-cyclopropyl-N-(2,2-difluoroethyl)formamide has a molecular weight of 149.14 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2,2-difluoroethyl)formamide is sourced from PubChem (CID 131163091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).