3,3-difluoro-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide

C11H13F2NO2 — CID 126785439

IUPAC3,3-difluoro-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide
SMILESCN(Cc1ccco1)C(=O)C1CC(F)(F)C1
InChIInChI=1S/C11H13F2NO2/c1-14(7-9-3-2-4-16-9)10(15)8-5-11(12,13)6-8/h2-4,8H,5-7H2,1H3
InChIKeyAFYFLEUIJYDNTJ-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.28
Rot. Bonds3

About 3,3-difluoro-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide

3,3-difluoro-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide (PubChem CID 126785439) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 3,3-difluoro-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide
PubChem CID126785439
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name3,3-difluoro-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide
SMILESCN(Cc1ccco1)C(=O)C1CC(F)(F)C1
InChIInChI=1S/C11H13F2NO2/c1-14(7-9-3-2-4-16-9)10(15)8-5-11(12,13)6-8/h2-4,8H,5-7H2,1H3
InChIKeyAFYFLEUIJYDNTJ-UHFFFAOYSA-N
XLogP2.28
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 70703147
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 35699759
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
(2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 42554709
methyl N-(furan-2-ylmethyl)-N-methylcarbamate
CID 2755161
N-[2-(furan-2-yl)ethyl]-N-methylcyclobutanecarboxamide
CID 110733326
4-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60809869
(3S)-N-(furan-2-ylmethyl)-N-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 94006173
N-(furan-2-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 42882017
4-ethyl-N-(furan-2-ylmethyl)-N-methylpiperidine-2-carboxamide
CID 114428076
N-(furan-2-ylmethyl)-N-methyl-2-(methylamino)acetamide
CID 43396056
N-(furan-2-ylmethyl)-N,3-dimethylpiperidine-1-carboxamide
CID 116654269

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide (CID 126785439) is 3,3-difluoro-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide is CN(Cc1ccco1)C(=O)C1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide?
The InChIKey is AFYFLEUIJYDNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-14(7-9-3-2-4-16-9)10(15)8-5-11(12,13)6-8/h2-4,8H,5-7H2,1H3.
What are the key properties of 3,3-difluoro-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide?
3,3-difluoro-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide has a molecular weight of 229.23 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 126785439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).