N-[3-(difluoromethyl)cyclobutyl]formamide

C6H9F2NO — CID 144845349

IUPACN-[3-(difluoromethyl)cyclobutyl]formamide
SMILESO=CNC1CC(C(F)F)C1
InChIInChI=1S/C6H9F2NO/c7-6(8)4-1-5(2-4)9-3-10/h3-6H,1-2H2,(H,9,10)
InChIKeyRCXBWJCFIZLPBJ-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.78
Rot. Bonds3

About N-[3-(difluoromethyl)cyclobutyl]formamide

N-[3-(difluoromethyl)cyclobutyl]formamide (PubChem CID 144845349) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is N-[3-(difluoromethyl)cyclobutyl]formamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)cyclobutyl]formamide
PubChem CID144845349
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC NameN-[3-(difluoromethyl)cyclobutyl]formamide
SMILESO=CNC1CC(C(F)F)C1
InChIInChI=1S/C6H9F2NO/c7-6(8)4-1-5(2-4)9-3-10/h3-6H,1-2H2,(H,9,10)
InChIKeyRCXBWJCFIZLPBJ-UHFFFAOYSA-N
XLogP0.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[3-(difluoromethyl)cyclobutyl]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-[3-(difluoromethyl)cyclobutyl]formamide?
The IUPAC name of N-[3-(difluoromethyl)cyclobutyl]formamide (CID 144845349) is N-[3-(difluoromethyl)cyclobutyl]formamide.
What is the SMILES notation for N-[3-(difluoromethyl)cyclobutyl]formamide?
The canonical SMILES for N-[3-(difluoromethyl)cyclobutyl]formamide is O=CNC1CC(C(F)F)C1.
What is the InChIKey of N-[3-(difluoromethyl)cyclobutyl]formamide?
The InChIKey is RCXBWJCFIZLPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c7-6(8)4-1-5(2-4)9-3-10/h3-6H,1-2H2,(H,9,10).
What are the key properties of N-[3-(difluoromethyl)cyclobutyl]formamide?
N-[3-(difluoromethyl)cyclobutyl]formamide has a molecular weight of 149.14 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)cyclobutyl]formamide is sourced from PubChem (CID 144845349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).