2,3,6-trifluoro-5-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]pyridine

C22H26F3N — CID 23190473

IUPAC2,3,6-trifluoro-5-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]pyridine
SMILESCCCC1CCC(c2ccc(CCc3cc(F)c(F)nc3F)cc2)CC1
InChIInChI=1S/C22H26F3N/c1-2-3-15-4-9-17(10-5-15)18-11-6-16(7-12-18)8-13-19-14-20(23)22(25)26-21(19)24/h6-7,11-12,14-15,17H,2-5,8-10,13H2,1H3
InChIKeySXYXLLKSWSVZBL-UHFFFAOYSA-N
MW361.45 g/mol
LogP6.36
Rot. Bonds6

About 2,3,6-trifluoro-5-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]pyridine

2,3,6-trifluoro-5-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]pyridine (PubChem CID 23190473) has the molecular formula C22H26F3N and a molecular weight of 361.45 g/mol. Its IUPAC name is 2,3,6-trifluoro-5-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]pyridine.

Molecular Properties

Compound Name2,3,6-trifluoro-5-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]pyridine
PubChem CID23190473
Molecular FormulaC22H26F3N
Molecular Weight361.45 g/mol
Exact Mass361.20
IUPAC Name2,3,6-trifluoro-5-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]pyridine
SMILESCCCC1CCC(c2ccc(CCc3cc(F)c(F)nc3F)cc2)CC1
InChIInChI=1S/C22H26F3N/c1-2-3-15-4-9-17(10-5-15)18-11-6-16(7-12-18)8-13-19-14-20(23)22(25)26-21(19)24/h6-7,11-12,14-15,17H,2-5,8-10,13H2,1H3
InChIKeySXYXLLKSWSVZBL-UHFFFAOYSA-N
XLogP6.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 56.36
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

2-chloro-1,3-difluoro-5-[2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethyl]benzene
CID 54430523
(2,5,6-trifluoro-3-pyridinyl) 4-(4-propylcyclohexyl)benzoate
CID 23190581
4-chloro-2-fluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene
CID 23298836
3-[2-(4-ethylcyclohexyl)ethyl]-2,5,6-trifluoropyridine
CID 23190792
1-ethoxy-2,3-difluoro-4-[2-fluoro-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]phenyl]benzene
CID 154607093
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 22991361
2-fluoro-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene
CID 19366440
2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 90161573
1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylcyclohexyl)naphthalene
CID 139873665
2,6-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]pyridine
CID 19765472
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trifluoro-5-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]pyridine?
The IUPAC name of 2,3,6-trifluoro-5-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]pyridine (CID 23190473) is 2,3,6-trifluoro-5-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]pyridine.
What is the SMILES notation for 2,3,6-trifluoro-5-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]pyridine?
The canonical SMILES for 2,3,6-trifluoro-5-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]pyridine is CCCC1CCC(c2ccc(CCc3cc(F)c(F)nc3F)cc2)CC1.
What is the InChIKey of 2,3,6-trifluoro-5-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]pyridine?
The InChIKey is SXYXLLKSWSVZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N/c1-2-3-15-4-9-17(10-5-15)18-11-6-16(7-12-18)8-13-19-14-20(23)22(25)26-21(19)24/h6-7,11-12,14-15,17H,2-5,8-10,13H2,1H3.
What are the key properties of 2,3,6-trifluoro-5-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]pyridine?
2,3,6-trifluoro-5-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]pyridine has a molecular weight of 361.45 g/mol, XLogP of 6.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trifluoro-5-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]pyridine is sourced from PubChem (CID 23190473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).