5-[4-(4-ethoxyphenyl)cyclohexyl]-2-fluoropyridine

C19H22FNO — CID 19765513

IUPAC5-[4-(4-ethoxyphenyl)cyclohexyl]-2-fluoropyridine
SMILESCCOc1ccc(C2CCC(c3ccc(F)nc3)CC2)cc1
InChIInChI=1S/C19H22FNO/c1-2-22-18-10-7-15(8-11-18)14-3-5-16(6-4-14)17-9-12-19(20)21-13-17/h7-14,16H,2-6H2,1H3
InChIKeyJWDJYVFMCNDAEF-UHFFFAOYSA-N
MW299.39 g/mol
LogP5.06
Rot. Bonds4

About 5-[4-(4-ethoxyphenyl)cyclohexyl]-2-fluoropyridine

5-[4-(4-ethoxyphenyl)cyclohexyl]-2-fluoropyridine (PubChem CID 19765513) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is 5-[4-(4-ethoxyphenyl)cyclohexyl]-2-fluoropyridine.

Molecular Properties

Compound Name5-[4-(4-ethoxyphenyl)cyclohexyl]-2-fluoropyridine
PubChem CID19765513
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name5-[4-(4-ethoxyphenyl)cyclohexyl]-2-fluoropyridine
SMILESCCOc1ccc(C2CCC(c3ccc(F)nc3)CC2)cc1
InChIInChI=1S/C19H22FNO/c1-2-22-18-10-7-15(8-11-18)14-3-5-16(6-4-14)17-9-12-19(20)21-13-17/h7-14,16H,2-6H2,1H3
InChIKeyJWDJYVFMCNDAEF-UHFFFAOYSA-N
XLogP5.06
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.39
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-ethoxyphenyl)cyclohexyl]-2-fluoropyridine?
The IUPAC name of 5-[4-(4-ethoxyphenyl)cyclohexyl]-2-fluoropyridine (CID 19765513) is 5-[4-(4-ethoxyphenyl)cyclohexyl]-2-fluoropyridine.
What is the SMILES notation for 5-[4-(4-ethoxyphenyl)cyclohexyl]-2-fluoropyridine?
The canonical SMILES for 5-[4-(4-ethoxyphenyl)cyclohexyl]-2-fluoropyridine is CCOc1ccc(C2CCC(c3ccc(F)nc3)CC2)cc1.
What is the InChIKey of 5-[4-(4-ethoxyphenyl)cyclohexyl]-2-fluoropyridine?
The InChIKey is JWDJYVFMCNDAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO/c1-2-22-18-10-7-15(8-11-18)14-3-5-16(6-4-14)17-9-12-19(20)21-13-17/h7-14,16H,2-6H2,1H3.
What are the key properties of 5-[4-(4-ethoxyphenyl)cyclohexyl]-2-fluoropyridine?
5-[4-(4-ethoxyphenyl)cyclohexyl]-2-fluoropyridine has a molecular weight of 299.39 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-ethoxyphenyl)cyclohexyl]-2-fluoropyridine is sourced from PubChem (CID 19765513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).