2-ethenyl-6-[2-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C25H28F2 — CID 139870002

IUPAC2-ethenyl-6-[2-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESC=CC1CCC2CC(c3ccc(-c4ccc(C)c(F)c4)cc3F)CCC2C1
InChIInChI=1S/C25H28F2/c1-3-17-5-7-19-13-22(9-8-18(19)12-17)23-11-10-21(15-25(23)27)20-6-4-16(2)24(26)14-20/h3-4,6,10-11,14-15,17-19,22H,1,5,7-9,12-13H2,2H3
InChIKeyWWIZJLILFAQFAU-UHFFFAOYSA-N
MW366.50 g/mol
LogP7.43
Rot. Bonds3

About 2-ethenyl-6-[2-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-ethenyl-6-[2-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 139870002) has the molecular formula C25H28F2 and a molecular weight of 366.50 g/mol. Its IUPAC name is 2-ethenyl-6-[2-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2-ethenyl-6-[2-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID139870002
Molecular FormulaC25H28F2
Molecular Weight366.50 g/mol
Exact Mass366.22
IUPAC Name2-ethenyl-6-[2-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESC=CC1CCC2CC(c3ccc(-c4ccc(C)c(F)c4)cc3F)CCC2C1
InChIInChI=1S/C25H28F2/c1-3-17-5-7-19-13-22(9-8-18(19)12-17)23-11-10-21(15-25(23)27)20-6-4-16(2)24(26)14-20/h3-4,6,10-11,14-15,17-19,22H,1,5,7-9,12-13H2,2H3
InChIKeyWWIZJLILFAQFAU-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 2-ethenyl-6-[2-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2-ethenyl-6-[2-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 139870002) is 2-ethenyl-6-[2-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2-ethenyl-6-[2-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2-ethenyl-6-[2-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is C=CC1CCC2CC(c3ccc(-c4ccc(C)c(F)c4)cc3F)CCC2C1.
What is the InChIKey of 2-ethenyl-6-[2-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is WWIZJLILFAQFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2/c1-3-17-5-7-19-13-22(9-8-18(19)12-17)23-11-10-21(15-25(23)27)20-6-4-16(2)24(26)14-20/h3-4,6,10-11,14-15,17-19,22H,1,5,7-9,12-13H2,2H3.
What are the key properties of 2-ethenyl-6-[2-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2-ethenyl-6-[2-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 366.50 g/mol, XLogP of 7.43, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-[2-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 139870002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).