2-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-5-(6-propyloxan-3-yl)pyridine

C27H35F2NO — CID 67968653

IUPAC2-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-5-(6-propyloxan-3-yl)pyridine
SMILESCCCC1CCC(c2ccc(-c3ccc(C4CCC(CC)CC4)c(F)c3F)nc2)CO1
InChIInChI=1S/C27H35F2NO/c1-3-5-22-12-10-21(17-31-22)20-11-15-25(30-16-20)24-14-13-23(26(28)27(24)29)19-8-6-18(4-2)7-9-19/h11,13-16,18-19,21-22H,3-10,12,17H2,1-2H3
InChIKeyZTHBRQZVUHTPOF-UHFFFAOYSA-N
MW427.58 g/mol
LogP7.77
Rot. Bonds6

About 2-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-5-(6-propyloxan-3-yl)pyridine

2-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-5-(6-propyloxan-3-yl)pyridine (PubChem CID 67968653) has the molecular formula C27H35F2NO and a molecular weight of 427.58 g/mol. Its IUPAC name is 2-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-5-(6-propyloxan-3-yl)pyridine.

Molecular Properties

Compound Name2-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-5-(6-propyloxan-3-yl)pyridine
PubChem CID67968653
Molecular FormulaC27H35F2NO
Molecular Weight427.58 g/mol
Exact Mass427.27
IUPAC Name2-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-5-(6-propyloxan-3-yl)pyridine
SMILESCCCC1CCC(c2ccc(-c3ccc(C4CCC(CC)CC4)c(F)c3F)nc2)CO1
InChIInChI=1S/C27H35F2NO/c1-3-5-22-12-10-21(17-31-22)20-11-15-25(30-16-20)24-14-13-23(26(28)27(24)29)19-8-6-18(4-2)7-9-19/h11,13-16,18-19,21-22H,3-10,12,17H2,1-2H3
InChIKeyZTHBRQZVUHTPOF-UHFFFAOYSA-N
XLogP7.77
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.58
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2,3-difluoro-4-(6-propyloxan-3-yl)phenyl]-2-(4-pentylcyclohexyl)pyridine
CID 67968718
5-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2-(5-propyloxan-2-yl)pyrimidine
CID 67968682
5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane
CID 20581932
5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-ethylpyrimidine
CID 67968630
5-[2,3-difluoro-4-(6-propyloxan-3-yl)phenyl]-2-(4-propylcyclohexyl)-1,3-dioxane
CID 67968714
5-[4-[4-(2,3-difluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]-2-propyloxane
CID 67733920
5-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane
CID 58535845
2-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]-2,3-difluorophenyl]-5-propyloxane
CID 58535326
5-[4-[4-(2,3-difluoro-4-heptoxyphenyl)phenyl]-2,3-difluorophenyl]-2-propyloxane
CID 67733937
1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene
CID 134358646
5-but-3-enyl-2-[2-[4-[2,3-difluoro-4-(6-propyloxan-3-yl)phenyl]-2,3-difluorophenyl]ethyl]oxane
CID 58535518
5-[4-(2,3-difluoro-4-pentoxyphenyl)-3-fluorophenyl]-2-propyloxane
CID 126764872

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-5-(6-propyloxan-3-yl)pyridine?
The IUPAC name of 2-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-5-(6-propyloxan-3-yl)pyridine (CID 67968653) is 2-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-5-(6-propyloxan-3-yl)pyridine.
What is the SMILES notation for 2-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-5-(6-propyloxan-3-yl)pyridine?
The canonical SMILES for 2-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-5-(6-propyloxan-3-yl)pyridine is CCCC1CCC(c2ccc(-c3ccc(C4CCC(CC)CC4)c(F)c3F)nc2)CO1.
What is the InChIKey of 2-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-5-(6-propyloxan-3-yl)pyridine?
The InChIKey is ZTHBRQZVUHTPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35F2NO/c1-3-5-22-12-10-21(17-31-22)20-11-15-25(30-16-20)24-14-13-23(26(28)27(24)29)19-8-6-18(4-2)7-9-19/h11,13-16,18-19,21-22H,3-10,12,17H2,1-2H3.
What are the key properties of 2-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-5-(6-propyloxan-3-yl)pyridine?
2-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-5-(6-propyloxan-3-yl)pyridine has a molecular weight of 427.58 g/mol, XLogP of 7.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-5-(6-propyloxan-3-yl)pyridine is sourced from PubChem (CID 67968653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).