3,3-difluoro-N-methoxy-N,2-dimethylcyclobutane-1-carboxamide

C8H13F2NO2 — CID 178088138

IUPAC3,3-difluoro-N-methoxy-N,2-dimethylcyclobutane-1-carboxamide
SMILESCON(C)C(=O)C1CC(F)(F)C1C
InChIInChI=1S/C8H13F2NO2/c1-5-6(4-8(5,9)10)7(12)11(2)13-3/h5-6H,4H2,1-3H3
InChIKeyMQSWVAPIYCNJED-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.30
Rot. Bonds2

About 3,3-difluoro-N-methoxy-N,2-dimethylcyclobutane-1-carboxamide

3,3-difluoro-N-methoxy-N,2-dimethylcyclobutane-1-carboxamide (PubChem CID 178088138) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 3,3-difluoro-N-methoxy-N,2-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-methoxy-N,2-dimethylcyclobutane-1-carboxamide
PubChem CID178088138
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name3,3-difluoro-N-methoxy-N,2-dimethylcyclobutane-1-carboxamide
SMILESCON(C)C(=O)C1CC(F)(F)C1C
InChIInChI=1S/C8H13F2NO2/c1-5-6(4-8(5,9)10)7(12)11(2)13-3/h5-6H,4H2,1-3H3
InChIKeyMQSWVAPIYCNJED-UHFFFAOYSA-N
XLogP1.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2R)-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93311851
N-methoxy-N,3-dimethylpiperidin-1-ium-4-carboxamide
CID 165024286
6,6-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-3-carboxamide
CID 137407926
3,3-difluoro-N-methoxy-N-methylpiperidine-4-carboxamide
CID 130719412
4-amino-N-methoxy-N,2,2,3-tetramethylcyclohexane-1-carboxamide
CID 102628653
2-fluoro-N-methoxy-N-methyl-2-phenylcyclopropane-1-carboxamide
CID 123258315
N-methoxy-N-methylspiro[2.3]hexane-2-carboxamide
CID 130725563
2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide;ethane
CID 142901928
trans-ethyl (1R,2R)-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylate
CID 91198295
N-methoxy-N-methyl-2-oxaspiro[3.3]heptane-6-carboxamide
CID 126844449
trans-(1S,2R)-2-(hydroxymethyl)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide
CID 6712533
(4S)-3,3-difluoro-4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylic acid
CID 137372039

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-methoxy-N,2-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-methoxy-N,2-dimethylcyclobutane-1-carboxamide (CID 178088138) is 3,3-difluoro-N-methoxy-N,2-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-methoxy-N,2-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-methoxy-N,2-dimethylcyclobutane-1-carboxamide is CON(C)C(=O)C1CC(F)(F)C1C.
What is the InChIKey of 3,3-difluoro-N-methoxy-N,2-dimethylcyclobutane-1-carboxamide?
The InChIKey is MQSWVAPIYCNJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-5-6(4-8(5,9)10)7(12)11(2)13-3/h5-6H,4H2,1-3H3.
What are the key properties of 3,3-difluoro-N-methoxy-N,2-dimethylcyclobutane-1-carboxamide?
3,3-difluoro-N-methoxy-N,2-dimethylcyclobutane-1-carboxamide has a molecular weight of 193.19 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methoxy-N,2-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 178088138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).