2-but-3-enyl-6-[2-(4-ethenylcyclohexyl)-1,2-difluoroethenyl]naphthalene

C24H26F2 — CID 139861561

IUPAC2-but-3-enyl-6-[2-(4-ethenylcyclohexyl)-1,2-difluoroethenyl]naphthalene
SMILESC=CCCc1ccc2cc(C(F)=C(F)C3CCC(C=C)CC3)ccc2c1
InChIInChI=1S/C24H26F2/c1-3-5-6-18-9-12-21-16-22(14-13-20(21)15-18)24(26)23(25)19-10-7-17(4-2)8-11-19/h3-4,9,12-17,19H,1-2,5-8,10-11H2
InChIKeyRCMKRIGVUYSKQG-UHFFFAOYSA-N
MW352.47 g/mol
LogP7.56
Rot. Bonds6

About 2-but-3-enyl-6-[2-(4-ethenylcyclohexyl)-1,2-difluoroethenyl]naphthalene

2-but-3-enyl-6-[2-(4-ethenylcyclohexyl)-1,2-difluoroethenyl]naphthalene (PubChem CID 139861561) has the molecular formula C24H26F2 and a molecular weight of 352.47 g/mol. Its IUPAC name is 2-but-3-enyl-6-[2-(4-ethenylcyclohexyl)-1,2-difluoroethenyl]naphthalene.

Molecular Properties

Compound Name2-but-3-enyl-6-[2-(4-ethenylcyclohexyl)-1,2-difluoroethenyl]naphthalene
PubChem CID139861561
Molecular FormulaC24H26F2
Molecular Weight352.47 g/mol
Exact Mass352.20
IUPAC Name2-but-3-enyl-6-[2-(4-ethenylcyclohexyl)-1,2-difluoroethenyl]naphthalene
SMILESC=CCCc1ccc2cc(C(F)=C(F)C3CCC(C=C)CC3)ccc2c1
InChIInChI=1S/C24H26F2/c1-3-5-6-18-9-12-21-16-22(14-13-20(21)15-18)24(26)23(25)19-10-7-17(4-2)8-11-19/h3-4,9,12-17,19H,1-2,5-8,10-11H2
InChIKeyRCMKRIGVUYSKQG-UHFFFAOYSA-N
XLogP7.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.47
LogP ≤ 57.56
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-but-3-enyl-6-[2-(4-ethenylcyclohexyl)-1,2-difluoroethenyl]naphthalene?
The IUPAC name of 2-but-3-enyl-6-[2-(4-ethenylcyclohexyl)-1,2-difluoroethenyl]naphthalene (CID 139861561) is 2-but-3-enyl-6-[2-(4-ethenylcyclohexyl)-1,2-difluoroethenyl]naphthalene.
What is the SMILES notation for 2-but-3-enyl-6-[2-(4-ethenylcyclohexyl)-1,2-difluoroethenyl]naphthalene?
The canonical SMILES for 2-but-3-enyl-6-[2-(4-ethenylcyclohexyl)-1,2-difluoroethenyl]naphthalene is C=CCCc1ccc2cc(C(F)=C(F)C3CCC(C=C)CC3)ccc2c1.
What is the InChIKey of 2-but-3-enyl-6-[2-(4-ethenylcyclohexyl)-1,2-difluoroethenyl]naphthalene?
The InChIKey is RCMKRIGVUYSKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2/c1-3-5-6-18-9-12-21-16-22(14-13-20(21)15-18)24(26)23(25)19-10-7-17(4-2)8-11-19/h3-4,9,12-17,19H,1-2,5-8,10-11H2.
What are the key properties of 2-but-3-enyl-6-[2-(4-ethenylcyclohexyl)-1,2-difluoroethenyl]naphthalene?
2-but-3-enyl-6-[2-(4-ethenylcyclohexyl)-1,2-difluoroethenyl]naphthalene has a molecular weight of 352.47 g/mol, XLogP of 7.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-6-[2-(4-ethenylcyclohexyl)-1,2-difluoroethenyl]naphthalene is sourced from PubChem (CID 139861561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).