N-(3,3-difluorocyclobutyl)-N-methylformamide

C6H9F2NO — CID 153387986

IUPACN-(3,3-difluorocyclobutyl)-N-methylformamide
SMILESCN(C=O)C1CC(F)(F)C1
InChIInChI=1S/C6H9F2NO/c1-9(4-10)5-2-6(7,8)3-5/h4-5H,2-3H2,1H3
InChIKeyLZFMXBIEPQSQEP-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.87
Rot. Bonds2

About N-(3,3-difluorocyclobutyl)-N-methylformamide

N-(3,3-difluorocyclobutyl)-N-methylformamide (PubChem CID 153387986) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-N-methylformamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-N-methylformamide
PubChem CID153387986
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC NameN-(3,3-difluorocyclobutyl)-N-methylformamide
SMILESCN(C=O)C1CC(F)(F)C1
InChIInChI=1S/C6H9F2NO/c1-9(4-10)5-2-6(7,8)3-5/h4-5H,2-3H2,1H3
InChIKeyLZFMXBIEPQSQEP-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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-(3,3-difluorocyclobutyl)-N-methylformamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(difluoromethyl)-N-propan-2-ylformamide
CID 56620564
N-propan-2-yl-N-(2,2,2-trifluoroethyl)formamide
CID 64992200
N-methyl-N-(3,3,3-trifluoropropyl)formamide
CID 65545886
N-propyl-N-(trifluoromethyl)formamide
CID 87321400
N-butan-2-yl-N-(trifluoromethyl)formamide
CID 87321578
N-butan-2-yl-N-(difluoromethyl)formamide
CID 87322123
N-(difluoromethyl)-N-propylformamide
CID 87322441
N-butyl-N-(trifluoromethyl)formamide
CID 87440981
N-(2,2-difluorobutyl)-N-methylformamide
CID 89308150
N-propan-2-yl-N-(trifluoromethyl)formamide
CID 91282658
N-(2,2-difluoroethyl)-N-propan-2-ylformamide
CID 127008222
N-ethyl-N-(1,1,1-trifluorobutan-2-yl)formamide
CID 145203970

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-N-methylformamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-N-methylformamide (CID 153387986) is N-(3,3-difluorocyclobutyl)-N-methylformamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-N-methylformamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-N-methylformamide is CN(C=O)C1CC(F)(F)C1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-N-methylformamide?
The InChIKey is LZFMXBIEPQSQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c1-9(4-10)5-2-6(7,8)3-5/h4-5H,2-3H2,1H3.
What are the key properties of N-(3,3-difluorocyclobutyl)-N-methylformamide?
N-(3,3-difluorocyclobutyl)-N-methylformamide has a molecular weight of 149.14 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-N-methylformamide is sourced from PubChem (CID 153387986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).