2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-6-propylnaphthalene

C29H39F — CID 139862821

IUPAC2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-6-propylnaphthalene
SMILESC=CC1CCC(CCC2CCC(c3ccc4cc(CCC)ccc4c3F)CC2)CC1
InChIInChI=1S/C29H39F/c1-3-5-24-14-18-28-26(20-24)17-19-27(29(28)30)25-15-12-23(13-16-25)11-10-22-8-6-21(4-2)7-9-22/h4,14,17-23,25H,2-3,5-13,15-16H2,1H3
InChIKeySWYOYHVFVHZWPB-UHFFFAOYSA-N
MW406.63 g/mol
LogP8.98
Rot. Bonds7

About 2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-6-propylnaphthalene

2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-6-propylnaphthalene (PubChem CID 139862821) has the molecular formula C29H39F and a molecular weight of 406.63 g/mol. Its IUPAC name is 2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-6-propylnaphthalene.

Molecular Properties

Compound Name2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-6-propylnaphthalene
PubChem CID139862821
Molecular FormulaC29H39F
Molecular Weight406.63 g/mol
Exact Mass406.30
IUPAC Name2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-6-propylnaphthalene
SMILESC=CC1CCC(CCC2CCC(c3ccc4cc(CCC)ccc4c3F)CC2)CC1
InChIInChI=1S/C29H39F/c1-3-5-24-14-18-28-26(20-24)17-19-27(29(28)30)25-15-12-23(13-16-25)11-10-22-8-6-21(4-2)7-9-22/h4,14,17-23,25H,2-3,5-13,15-16H2,1H3
InChIKeySWYOYHVFVHZWPB-UHFFFAOYSA-N
XLogP8.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.63
LogP ≤ 58.98
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-(4-but-3-enylcyclohexyl)-1-fluoro-6-pentylnaphthalene
CID 139863041
6-but-3-enyl-2-(4-but-3-enylcyclohexyl)-1-fluoronaphthalene
CID 139863366
2-(4-but-3-enylcyclohexyl)-6-ethyl-1-fluoronaphthalene
CID 139861557
2-(4-but-3-enylcyclohexyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene
CID 139861022
2-[2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]ethynyl]-1-fluoro-6-propylnaphthalene
CID 139876531
1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene
CID 71422815
1-fluoro-6-propyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]naphthalene
CID 58839893
3-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1,2-difluoro-7-propylnaphthalene
CID 139861865
1-fluoro-2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene
CID 139861475
3-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,2-difluoro-7-propylnaphthalene
CID 139863228
1-fluoro-6-[(E)-pent-3-enyl]-2-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene
CID 139860894
1-fluoro-2-(4-pentylcyclohexyl)-6-prop-2-enoxynaphthalene
CID 139862915

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-6-propylnaphthalene?
The IUPAC name of 2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-6-propylnaphthalene (CID 139862821) is 2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-6-propylnaphthalene.
What is the SMILES notation for 2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-6-propylnaphthalene?
The canonical SMILES for 2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-6-propylnaphthalene is C=CC1CCC(CCC2CCC(c3ccc4cc(CCC)ccc4c3F)CC2)CC1.
What is the InChIKey of 2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-6-propylnaphthalene?
The InChIKey is SWYOYHVFVHZWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39F/c1-3-5-24-14-18-28-26(20-24)17-19-27(29(28)30)25-15-12-23(13-16-25)11-10-22-8-6-21(4-2)7-9-22/h4,14,17-23,25H,2-3,5-13,15-16H2,1H3.
What are the key properties of 2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-6-propylnaphthalene?
2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-6-propylnaphthalene has a molecular weight of 406.63 g/mol, XLogP of 8.98, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-6-propylnaphthalene is sourced from PubChem (CID 139862821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).