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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Related Compounds

2-but-3-enyl-6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139862828
2-but-3-enyl-6-[1,2-difluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]ethenyl]-1-fluoronaphthalene
CID 139860885
3-but-3-enyl-7-[2-(4-but-3-enylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoronaphthalene
CID 139861089
3-but-3-enyl-7-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-1,2-difluoronaphthalene
CID 139863503
2-but-3-enyl-7-pent-4-enylphenanthrene
CID 139836962
2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene
CID 139861082
2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-methoxynaphthalene
CID 139861327
1-ethenyl-4-[4-(1,2,2-trifluoroethenyl)cyclohexyl]cyclohexane
CID 139825193
6-but-3-enyl-2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-1-fluoronaphthalene
CID 139862628
6-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoro-2-propylnaphthalene
CID 139861695
2-but-3-enyl-6-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 68533355
2-but-2-enoxy-6-[2-(4-but-3-enylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene
CID 139862619

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).