3,3-difluoro-N-propylcyclobutane-1-carboxamide

C8H13F2NO — CID 130711162

IUPAC3,3-difluoro-N-propylcyclobutane-1-carboxamide
SMILESCCCNC(=O)C1CC(F)(F)C1
InChIInChI=1S/C8H13F2NO/c1-2-3-11-7(12)6-4-8(9,10)5-6/h6H,2-5H2,1H3,(H,11,12)
InChIKeyFIMCZFSOPPXLDL-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.56
Rot. Bonds3

About 3,3-difluoro-N-propylcyclobutane-1-carboxamide

3,3-difluoro-N-propylcyclobutane-1-carboxamide (PubChem CID 130711162) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 3,3-difluoro-N-propylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-propylcyclobutane-1-carboxamide
PubChem CID130711162
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name3,3-difluoro-N-propylcyclobutane-1-carboxamide
SMILESCCCNC(=O)C1CC(F)(F)C1
InChIInChI=1S/C8H13F2NO/c1-2-3-11-7(12)6-4-8(9,10)5-6/h6H,2-5H2,1H3,(H,11,12)
InChIKeyFIMCZFSOPPXLDL-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-propylcyclooctanecarboxamide
CID 65022755
N-propylcyclohexanecarboxamide;hydrochloride
CID 174790388
4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144258
4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144333
4-N-cyclopropyl-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144255
N-(2-fluoroethyl)-3,3-dimethylcyclobutane-1-carboxamide
CID 131131570
N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 166944629
2-methyl-N-propyl-1,3-dioxane-5-carboxamide
CID 141007817
N-[2-(propylamino)ethyl]cyclobutanecarboxamide
CID 62658991
3,3-difluoro-N-[(2R)-1-hydroxypropan-2-yl]cyclobutane-1-carboxamide
CID 130834234
3,3-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 130487789
1-butyl-N-propylpiperidine-4-carboxamide
CID 155706109

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-propylcyclobutane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-propylcyclobutane-1-carboxamide (CID 130711162) is 3,3-difluoro-N-propylcyclobutane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-propylcyclobutane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-propylcyclobutane-1-carboxamide is CCCNC(=O)C1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-propylcyclobutane-1-carboxamide?
The InChIKey is FIMCZFSOPPXLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-2-3-11-7(12)6-4-8(9,10)5-6/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 3,3-difluoro-N-propylcyclobutane-1-carboxamide?
3,3-difluoro-N-propylcyclobutane-1-carboxamide has a molecular weight of 177.19 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-propylcyclobutane-1-carboxamide is sourced from PubChem (CID 130711162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).