3,3-difluoro-N-(oxetan-3-yl)cyclobutane-1-carboxamide

C8H11F2NO2 — CID 130843839

IUPAC3,3-difluoro-N-(oxetan-3-yl)cyclobutane-1-carboxamide
SMILESO=C(NC1COC1)C1CC(F)(F)C1
InChIInChI=1S/C8H11F2NO2/c9-8(10)1-5(2-8)7(12)11-6-3-13-4-6/h5-6H,1-4H2,(H,11,12)
InChIKeyJIQGIBNOZDJNMB-UHFFFAOYSA-N
MW191.18 g/mol
LogP0.55
Rot. Bonds2

About 3,3-difluoro-N-(oxetan-3-yl)cyclobutane-1-carboxamide

3,3-difluoro-N-(oxetan-3-yl)cyclobutane-1-carboxamide (PubChem CID 130843839) has the molecular formula C8H11F2NO2 and a molecular weight of 191.18 g/mol. Its IUPAC name is 3,3-difluoro-N-(oxetan-3-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-(oxetan-3-yl)cyclobutane-1-carboxamide
PubChem CID130843839
Molecular FormulaC8H11F2NO2
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name3,3-difluoro-N-(oxetan-3-yl)cyclobutane-1-carboxamide
SMILESO=C(NC1COC1)C1CC(F)(F)C1
InChIInChI=1S/C8H11F2NO2/c9-8(10)1-5(2-8)7(12)11-6-3-13-4-6/h5-6H,1-4H2,(H,11,12)
InChIKeyJIQGIBNOZDJNMB-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 131067891
3-methyl-N-(oxetan-3-yl)cyclobutane-1-carboxamide
CID 164660348
3,3-difluoro-N-piperidin-3-ylcyclobutane-1-carboxamide
CID 119428759
3-(oxetan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550927
N-(4,4-difluorocyclohexyl)oxolane-3-carboxamide
CID 121194076
(3S)-N-(oxetan-3-yl)piperidine-3-carboxamide
CID 81134235
N-(oxolan-3-yl)cyclohexanecarboxamide
CID 110868779
4,4-difluoro-N-spiro[3.3]heptan-2-ylcyclohexane-1-carboxamide
CID 142516545
3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]cyclobutane-1-carboxamide
CID 164821522
2,3-dimethyl-4-(oxetan-3-ylamino)-4-oxobutanoic acid
CID 103498793
4-iodo-N-(oxolan-3-yl)cyclohexane-1-carboxamide
CID 121366970
N-(oxetan-3-yl)adamantane-2-carboxamide
CID 81096479

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(oxetan-3-yl)cyclobutane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-(oxetan-3-yl)cyclobutane-1-carboxamide (CID 130843839) is 3,3-difluoro-N-(oxetan-3-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-(oxetan-3-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-(oxetan-3-yl)cyclobutane-1-carboxamide is O=C(NC1COC1)C1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-(oxetan-3-yl)cyclobutane-1-carboxamide?
The InChIKey is JIQGIBNOZDJNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO2/c9-8(10)1-5(2-8)7(12)11-6-3-13-4-6/h5-6H,1-4H2,(H,11,12).
What are the key properties of 3,3-difluoro-N-(oxetan-3-yl)cyclobutane-1-carboxamide?
3,3-difluoro-N-(oxetan-3-yl)cyclobutane-1-carboxamide has a molecular weight of 191.18 g/mol, XLogP of 0.55, 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-(oxetan-3-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 130843839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).