3-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]pyridine

C18H20F3N — CID 14883795

IUPAC3-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]pyridine
SMILESCCc1cnccc1CCCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H20F3N/c1-2-15-13-22-11-10-16(15)8-4-3-6-14-7-5-9-17(12-14)18(19,20)21/h5,7,9-13H,2-4,6,8H2,1H3
InChIKeyGFPNOCAWFVNXDB-UHFFFAOYSA-N
MW307.36 g/mol
LogP5.23
Rot. Bonds6

About 3-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]pyridine

3-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]pyridine (PubChem CID 14883795) has the molecular formula C18H20F3N and a molecular weight of 307.36 g/mol. Its IUPAC name is 3-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]pyridine.

Molecular Properties

Compound Name3-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]pyridine
PubChem CID14883795
Molecular FormulaC18H20F3N
Molecular Weight307.36 g/mol
Exact Mass307.15
IUPAC Name3-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]pyridine
SMILESCCc1cnccc1CCCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H20F3N/c1-2-15-13-22-11-10-16(15)8-4-3-6-14-7-5-9-17(12-14)18(19,20)21/h5,7,9-13H,2-4,6,8H2,1H3
InChIKeyGFPNOCAWFVNXDB-UHFFFAOYSA-N
XLogP5.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.36
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

diethyl-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
CID 162621887
diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane
CID 90172777
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
2-methylidene-6-[3-(trifluoromethyl)phenyl]hexanoic acid
CID 142067095
CID 90171032
CID 90171032
tripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
CID 90174032
4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 105086241
methoxy-dimethyl-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90172470
CID 90171829
CID 90171829
6-[3-(trifluoromethyl)phenyl]hexanenitrile
CID 54276066
dihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90173460
1-[3-(trifluoromethyl)phenyl]heptan-4-ol
CID 64513695

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]pyridine?
The IUPAC name of 3-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]pyridine (CID 14883795) is 3-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]pyridine.
What is the SMILES notation for 3-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]pyridine?
The canonical SMILES for 3-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]pyridine is CCc1cnccc1CCCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]pyridine?
The InChIKey is GFPNOCAWFVNXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N/c1-2-15-13-22-11-10-16(15)8-4-3-6-14-7-5-9-17(12-14)18(19,20)21/h5,7,9-13H,2-4,6,8H2,1H3.
What are the key properties of 3-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]pyridine?
3-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]pyridine has a molecular weight of 307.36 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]pyridine is sourced from PubChem (CID 14883795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).