3-[2-(4-ethylcyclohexyl)ethyl]-2,5,6-trifluoropyridine

C15H20F3N — CID 23190792

IUPAC3-[2-(4-ethylcyclohexyl)ethyl]-2,5,6-trifluoropyridine
SMILESCCC1CCC(CCc2cc(F)c(F)nc2F)CC1
InChIInChI=1S/C15H20F3N/c1-2-10-3-5-11(6-4-10)7-8-12-9-13(16)15(18)19-14(12)17/h9-11H,2-8H2,1H3
InChIKeyVIOBGAFIGZDKCP-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.65
Rot. Bonds4

About 3-[2-(4-ethylcyclohexyl)ethyl]-2,5,6-trifluoropyridine

3-[2-(4-ethylcyclohexyl)ethyl]-2,5,6-trifluoropyridine (PubChem CID 23190792) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 3-[2-(4-ethylcyclohexyl)ethyl]-2,5,6-trifluoropyridine.

Molecular Properties

Compound Name3-[2-(4-ethylcyclohexyl)ethyl]-2,5,6-trifluoropyridine
PubChem CID23190792
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name3-[2-(4-ethylcyclohexyl)ethyl]-2,5,6-trifluoropyridine
SMILESCCC1CCC(CCc2cc(F)c(F)nc2F)CC1
InChIInChI=1S/C15H20F3N/c1-2-10-3-5-11(6-4-10)7-8-12-9-13(16)15(18)19-14(12)17/h9-11H,2-8H2,1H3
InChIKeyVIOBGAFIGZDKCP-UHFFFAOYSA-N
XLogP4.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene
CID 18610850
3-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,6-difluoropyridine
CID 19765404
2,3,6-trifluoro-5-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]pyridine
CID 23190473
1-[2-(4-ethylcyclohexyl)ethyl]-2-fluoro-4-[2-(4-propylphenyl)ethyl]benzene
CID 172817862
1-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,3-difluoro-4-pentylbenzene
CID 135193369
4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
CID 14993447
1-chloro-2-[2-(4-ethylcyclohexyl)ethyl]benzene
CID 67782354
1-[2-(4-butylcyclohexyl)ethyl]-2,4-difluorobenzene
CID 18610847
3-[4-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methylpyridazine
CID 139779038
2-fluoro-1-[2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene
CID 139608148
4-[2-(4-butylcyclohexyl)ethyl]-3-fluorobenzonitrile;4-[2-(4-ethylcyclohexyl)ethyl]-3-fluorobenzonitrile;3-fluoro-4-[2-(4-pentylcyclohexyl)ethyl]benzonitrile;3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzonitrile
CID 173399906
3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexylphenyl)pyridazine
CID 139779119

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethylcyclohexyl)ethyl]-2,5,6-trifluoropyridine?
The IUPAC name of 3-[2-(4-ethylcyclohexyl)ethyl]-2,5,6-trifluoropyridine (CID 23190792) is 3-[2-(4-ethylcyclohexyl)ethyl]-2,5,6-trifluoropyridine.
What is the SMILES notation for 3-[2-(4-ethylcyclohexyl)ethyl]-2,5,6-trifluoropyridine?
The canonical SMILES for 3-[2-(4-ethylcyclohexyl)ethyl]-2,5,6-trifluoropyridine is CCC1CCC(CCc2cc(F)c(F)nc2F)CC1.
What is the InChIKey of 3-[2-(4-ethylcyclohexyl)ethyl]-2,5,6-trifluoropyridine?
The InChIKey is VIOBGAFIGZDKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-2-10-3-5-11(6-4-10)7-8-12-9-13(16)15(18)19-14(12)17/h9-11H,2-8H2,1H3.
What are the key properties of 3-[2-(4-ethylcyclohexyl)ethyl]-2,5,6-trifluoropyridine?
3-[2-(4-ethylcyclohexyl)ethyl]-2,5,6-trifluoropyridine has a molecular weight of 271.33 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethylcyclohexyl)ethyl]-2,5,6-trifluoropyridine is sourced from PubChem (CID 23190792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).