1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]-3,6-dihydro-2H-pyridine

C18H22F3N — CID 14762898

IUPAC1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]-3,6-dihydro-2H-pyridine
SMILESFC(F)(F)c1cccc(C2(N3CC=CCC3)CCCCC2)c1
InChIInChI=1S/C18H22F3N/c19-18(20,21)16-9-7-8-15(14-16)17(10-3-1-4-11-17)22-12-5-2-6-13-22/h2,5,7-9,14H,1,3-4,6,10-13H2
InChIKeyJQKUSTCXZKCEAV-UHFFFAOYSA-N
MW309.38 g/mol
LogP5.13
Rot. Bonds2

About 1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]-3,6-dihydro-2H-pyridine

1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]-3,6-dihydro-2H-pyridine (PubChem CID 14762898) has the molecular formula C18H22F3N and a molecular weight of 309.38 g/mol. Its IUPAC name is 1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]-3,6-dihydro-2H-pyridine
PubChem CID14762898
Molecular FormulaC18H22F3N
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]-3,6-dihydro-2H-pyridine
SMILESFC(F)(F)c1cccc(C2(N3CC=CCC3)CCCCC2)c1
InChIInChI=1S/C18H22F3N/c19-18(20,21)16-9-7-8-15(14-16)17(10-3-1-4-11-17)22-12-5-2-6-13-22/h2,5,7-9,14H,1,3-4,6,10-13H2
InChIKeyJQKUSTCXZKCEAV-UHFFFAOYSA-N
XLogP5.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.38
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]-3,6-dihydro-2H-pyridine (CID 14762898) is 1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]-3,6-dihydro-2H-pyridine is FC(F)(F)c1cccc(C2(N3CC=CCC3)CCCCC2)c1.
What is the InChIKey of 1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]-3,6-dihydro-2H-pyridine?
The InChIKey is JQKUSTCXZKCEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N/c19-18(20,21)16-9-7-8-15(14-16)17(10-3-1-4-11-17)22-12-5-2-6-13-22/h2,5,7-9,14H,1,3-4,6,10-13H2.
What are the key properties of 1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]-3,6-dihydro-2H-pyridine?
1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]-3,6-dihydro-2H-pyridine has a molecular weight of 309.38 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 14762898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).