N-methoxy-N-methyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide

C9H12F3NO2 — CID 162509559

IUPACN-methoxy-N-methyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide
SMILESCON(C)C(=O)C12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C9H12F3NO2/c1-13(15-2)6(14)7-3-8(4-7,5-7)9(10,11)12/h3-5H2,1-2H3
InChIKeyUPPILTHJXNBOGC-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.74
Rot. Bonds2

About N-methoxy-N-methyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide

N-methoxy-N-methyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 162509559) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is N-methoxy-N-methyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide
PubChem CID162509559
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC NameN-methoxy-N-methyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide
SMILESCON(C)C(=O)C12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C9H12F3NO2/c1-13(15-2)6(14)7-3-8(4-7,5-7)9(10,11)12/h3-5H2,1-2H3
InChIKeyUPPILTHJXNBOGC-UHFFFAOYSA-N
XLogP1.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.74
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-methylcyclobutane-1-carboxamide
CID 87068234
N-methoxy-N-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide
CID 58114150
3,3-difluoro-N-methoxy-N,1-dimethylcyclobutane-1-carboxamide
CID 134367999
2,2-difluoro-N-methoxy-N-methylspiro[2.3]hexane-5-carboxamide
CID 137408256
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
3-Fluoro-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide
CID 152116408
N-Methoxy-N-methyl-3-(trifluoromethyl)cyclobutane-1-carboxamide
CID 156495434
2,2-difluoro-N-methoxy-N-methylspiro[3.3]heptane-6-carboxamide
CID 168175265
3,3-difluoro-N-methoxy-N,2,2-trimethylcyclobutane-1-carboxamide
CID 176116753
3-(2,2-difluoroethyl)-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide
CID 176392881
3-(2-fluoropropan-2-yl)-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide
CID 176392899

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of N-methoxy-N-methyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide (CID 162509559) is N-methoxy-N-methyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide is CON(C)C(=O)C12CC(C(F)(F)F)(C1)C2.
What is the InChIKey of N-methoxy-N-methyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is UPPILTHJXNBOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c1-13(15-2)6(14)7-3-8(4-7,5-7)9(10,11)12/h3-5H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide?
N-methoxy-N-methyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 223.19 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 162509559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).