6,6-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-3-carboxamide

C9H13F2NO2 — CID 137407926

IUPAC6,6-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-3-carboxamide
SMILESCON(C)C(=O)C1CC2C(C1)C2(F)F
InChIInChI=1S/C9H13F2NO2/c1-12(14-2)8(13)5-3-6-7(4-5)9(6,10)11/h5-7H,3-4H2,1-2H3
InChIKeyCDDFIXVQCICFML-UHFFFAOYSA-N
MW205.20 g/mol
LogP1.30
Rot. Bonds2

About 6,6-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-3-carboxamide

6,6-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 137407926) has the molecular formula C9H13F2NO2 and a molecular weight of 205.20 g/mol. Its IUPAC name is 6,6-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name6,6-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-3-carboxamide
PubChem CID137407926
Molecular FormulaC9H13F2NO2
Molecular Weight205.20 g/mol
Exact Mass205.09
IUPAC Name6,6-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-3-carboxamide
SMILESCON(C)C(=O)C1CC2C(C1)C2(F)F
InChIInChI=1S/C9H13F2NO2/c1-12(14-2)8(13)5-3-6-7(4-5)9(6,10)11/h5-7H,3-4H2,1-2H3
InChIKeyCDDFIXVQCICFML-UHFFFAOYSA-N
XLogP1.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
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

N-methoxy-N-methylcyclobutanecarboxamide
CID 45084194
benzene;N-methoxy-N-methylcyclopropanecarboxamide
CID 170770192
N-methoxy-N-methylcyclopent-3-ene-1-carboxamide
CID 12990999
N-methoxy-N-methyl-3-phenylcyclobutane-1-carboxamide
CID 58053348
3,3-difluoro-N-methoxy-N,2-dimethylcyclobutane-1-carboxamide
CID 178088138
N-methoxy-N,5-dimethyloxolane-3-carboxamide
CID 114826107
N-methoxy-N-methyl-2-oxaspiro[3.3]heptane-6-carboxamide
CID 126844449
N-methoxy-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78887822
(2S,4R)-4-fluoro-N-methoxy-N-methylpyrrolidine-2-carboxamide
CID 130686259
methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate
CID 141099553
cyclopropanecarbonyl chloride;N-methoxymethanamine;N-methoxy-N-methylcyclopropanecarboxamide
CID 161097288
tert-butyl N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-methylcarbamate
CID 174271276

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of 6,6-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-3-carboxamide (CID 137407926) is 6,6-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for 6,6-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for 6,6-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-3-carboxamide is CON(C)C(=O)C1CC2C(C1)C2(F)F.
What is the InChIKey of 6,6-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is CDDFIXVQCICFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO2/c1-12(14-2)8(13)5-3-6-7(4-5)9(6,10)11/h5-7H,3-4H2,1-2H3.
What are the key properties of 6,6-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-3-carboxamide?
6,6-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 205.20 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 6,6-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 137407926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).