N-(2,6-difluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C13H13F5N2O — CID 103097942

IUPACN-(2,6-difluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(F)nc1F)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H13F5N2O/c14-10-5-4-9(11(15)20-10)19-12(21)7-2-1-3-8(6-7)13(16,17)18/h4-5,7-8H,1-3,6H2,(H,19,21)
InChIKeyLOGDVUTWYFTMNJ-UHFFFAOYSA-N
MW308.25 g/mol
LogP3.67
Rot. Bonds2

About N-(2,6-difluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(2,6-difluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 103097942) has the molecular formula C13H13F5N2O and a molecular weight of 308.25 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID103097942
Molecular FormulaC13H13F5N2O
Molecular Weight308.25 g/mol
Exact Mass308.09
IUPAC NameN-(2,6-difluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(F)nc1F)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H13F5N2O/c14-10-5-4-9(11(15)20-10)19-12(21)7-2-1-3-8(6-7)13(16,17)18/h4-5,7-8H,1-3,6H2,(H,19,21)
InChIKeyLOGDVUTWYFTMNJ-UHFFFAOYSA-N
XLogP3.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-difluoro-3-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 103098002
N-(2,6-difluoro-3-pyridinyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103097944
N-(2-bromo-5-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103753587
N-(2,6-difluoro-3-pyridinyl)oxane-4-carboxamide
CID 103097804
N-(3-chloro-2-methylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 46485912
trans-(1S,3S)-N-(2-cyanophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 95568627
N-(2-fluoro-5-nitrophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60528238
N-(4-formylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106912255
N-[2-(methylaminomethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 119437919
N-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115281171
N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115661550
N-(2-amino-5-methoxyphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 119421237

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 103097942) is N-(2,6-difluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(Nc1ccc(F)nc1F)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is LOGDVUTWYFTMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F5N2O/c14-10-5-4-9(11(15)20-10)19-12(21)7-2-1-3-8(6-7)13(16,17)18/h4-5,7-8H,1-3,6H2,(H,19,21).
What are the key properties of N-(2,6-difluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(2,6-difluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 308.25 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 103097942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).