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

C9H13F2NO2 — CID 137408250

IUPAC3,3-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide
SMILESCON(C)C(=O)C1C2CC(F)(F)CC21
InChIInChI=1S/C9H13F2NO2/c1-12(14-2)8(13)7-5-3-9(10,11)4-6(5)7/h5-7H,3-4H2,1-2H3
InChIKeyQPFQITAFVBEYPU-UHFFFAOYSA-N
MW205.20 g/mol
LogP1.30
Rot. Bonds2

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

3,3-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 137408250) has the molecular formula C9H13F2NO2 and a molecular weight of 205.20 g/mol. Its IUPAC name is 3,3-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide
PubChem CID137408250
Molecular FormulaC9H13F2NO2
Molecular Weight205.20 g/mol
Exact Mass205.09
IUPAC Name3,3-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide
SMILESCON(C)C(=O)C1C2CC(F)(F)CC21
InChIInChI=1S/C9H13F2NO2/c1-12(14-2)8(13)7-5-3-9(10,11)4-6(5)7/h5-7H,3-4H2,1-2H3
InChIKeyQPFQITAFVBEYPU-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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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of 3,3-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide (CID 137408250) is 3,3-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for 3,3-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide is CON(C)C(=O)C1C2CC(F)(F)CC21.
What is the InChIKey of 3,3-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is QPFQITAFVBEYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO2/c1-12(14-2)8(13)7-5-3-9(10,11)4-6(5)7/h5-7H,3-4H2,1-2H3.
What are the key properties of 3,3-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
3,3-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-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 3,3-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 137408250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).