3,3-difluoro-N-(2-methyl-3-pyridinyl)cyclobutane-1-carboxamide

C11H12F2N2O — CID 126790247

IUPAC3,3-difluoro-N-(2-methyl-3-pyridinyl)cyclobutane-1-carboxamide
SMILESCc1ncccc1NC(=O)C1CC(F)(F)C1
InChIInChI=1S/C11H12F2N2O/c1-7-9(3-2-4-14-7)15-10(16)8-5-11(12,13)6-8/h2-4,8H,5-6H2,1H3,(H,15,16)
InChIKeyGUZWOMAUYSCHQM-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.37
Rot. Bonds2

About 3,3-difluoro-N-(2-methyl-3-pyridinyl)cyclobutane-1-carboxamide

3,3-difluoro-N-(2-methyl-3-pyridinyl)cyclobutane-1-carboxamide (PubChem CID 126790247) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is 3,3-difluoro-N-(2-methyl-3-pyridinyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-(2-methyl-3-pyridinyl)cyclobutane-1-carboxamide
PubChem CID126790247
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name3,3-difluoro-N-(2-methyl-3-pyridinyl)cyclobutane-1-carboxamide
SMILESCc1ncccc1NC(=O)C1CC(F)(F)C1
InChIInChI=1S/C11H12F2N2O/c1-7-9(3-2-4-14-7)15-10(16)8-5-11(12,13)6-8/h2-4,8H,5-6H2,1H3,(H,15,16)
InChIKeyGUZWOMAUYSCHQM-UHFFFAOYSA-N
XLogP2.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(2-methyl-3-pyridinyl)cyclobutane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-(2-methyl-3-pyridinyl)cyclobutane-1-carboxamide (CID 126790247) is 3,3-difluoro-N-(2-methyl-3-pyridinyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-(2-methyl-3-pyridinyl)cyclobutane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-(2-methyl-3-pyridinyl)cyclobutane-1-carboxamide is Cc1ncccc1NC(=O)C1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-(2-methyl-3-pyridinyl)cyclobutane-1-carboxamide?
The InChIKey is GUZWOMAUYSCHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c1-7-9(3-2-4-14-7)15-10(16)8-5-11(12,13)6-8/h2-4,8H,5-6H2,1H3,(H,15,16).
What are the key properties of 3,3-difluoro-N-(2-methyl-3-pyridinyl)cyclobutane-1-carboxamide?
3,3-difluoro-N-(2-methyl-3-pyridinyl)cyclobutane-1-carboxamide has a molecular weight of 226.23 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(2-methyl-3-pyridinyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 126790247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).