2,2-difluoro-N-methoxy-N-methylspiro[2.3]hexane-5-carboxamide

C9H13F2NO2 — CID 137408256

IUPAC2,2-difluoro-N-methoxy-N-methylspiro[2.3]hexane-5-carboxamide
SMILESCON(C)C(=O)C1CC2(C1)CC2(F)F
InChIInChI=1S/C9H13F2NO2/c1-12(14-2)7(13)6-3-8(4-6)5-9(8,10)11/h6H,3-5H2,1-2H3
InChIKeyASAHZGLDDYQPGA-UHFFFAOYSA-N
MW205.20 g/mol
LogP1.44
Rot. Bonds2

About 2,2-difluoro-N-methoxy-N-methylspiro[2.3]hexane-5-carboxamide

2,2-difluoro-N-methoxy-N-methylspiro[2.3]hexane-5-carboxamide (PubChem CID 137408256) has the molecular formula C9H13F2NO2 and a molecular weight of 205.20 g/mol. Its IUPAC name is 2,2-difluoro-N-methoxy-N-methylspiro[2.3]hexane-5-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-N-methoxy-N-methylspiro[2.3]hexane-5-carboxamide
PubChem CID137408256
Molecular FormulaC9H13F2NO2
Molecular Weight205.20 g/mol
Exact Mass205.09
IUPAC Name2,2-difluoro-N-methoxy-N-methylspiro[2.3]hexane-5-carboxamide
SMILESCON(C)C(=O)C1CC2(C1)CC2(F)F
InChIInChI=1S/C9H13F2NO2/c1-12(14-2)7(13)6-3-8(4-6)5-9(8,10)11/h6H,3-5H2,1-2H3
InChIKeyASAHZGLDDYQPGA-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
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

3,3-difluoro-N-methoxy-N-methylcyclopentane-1-carboxamide
CID 53403834
N-methoxy-N-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide
CID 58114150
(2S)-3-(3,3-difluorocyclobutyl)-N-methoxy-N,2-dimethylpropanamide
CID 122545592
3,3-difluoro-N-methoxy-N,1-dimethylcyclobutane-1-carboxamide
CID 134367999
2-(3,3-difluorocyclobutyl)-N-methoxy-N-methylacetamide
CID 140191462
3-(1,1-difluoroethyl)-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide
CID 149516982
3-(difluoromethyl)-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide
CID 151042756
N-Methoxy-N-methyl-3-(trifluoromethyl)cyclobutane-1-carboxamide
CID 156495434
1-fluoro-N-methoxy-N,2-dimethylcyclobutane-1-carboxamide
CID 156530580
N-methoxy-N-methyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide
CID 162509559
3-(difluoromethyl)-N-methoxy-N,3-dimethylhexanamide
CID 166011581
N-methoxy-N-methyl-3-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide
CID 168175023

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methoxy-N-methylspiro[2.3]hexane-5-carboxamide?
The IUPAC name of 2,2-difluoro-N-methoxy-N-methylspiro[2.3]hexane-5-carboxamide (CID 137408256) is 2,2-difluoro-N-methoxy-N-methylspiro[2.3]hexane-5-carboxamide.
What is the SMILES notation for 2,2-difluoro-N-methoxy-N-methylspiro[2.3]hexane-5-carboxamide?
The canonical SMILES for 2,2-difluoro-N-methoxy-N-methylspiro[2.3]hexane-5-carboxamide is CON(C)C(=O)C1CC2(C1)CC2(F)F.
What is the InChIKey of 2,2-difluoro-N-methoxy-N-methylspiro[2.3]hexane-5-carboxamide?
The InChIKey is ASAHZGLDDYQPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO2/c1-12(14-2)7(13)6-3-8(4-6)5-9(8,10)11/h6H,3-5H2,1-2H3.
What are the key properties of 2,2-difluoro-N-methoxy-N-methylspiro[2.3]hexane-5-carboxamide?
2,2-difluoro-N-methoxy-N-methylspiro[2.3]hexane-5-carboxamide has a molecular weight of 205.20 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methoxy-N-methylspiro[2.3]hexane-5-carboxamide is sourced from PubChem (CID 137408256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).