6-(4-but-3-enylcyclohexyl)-1-fluoro-2-pentylnaphthalene

C25H33F — CID 139860678

IUPAC6-(4-but-3-enylcyclohexyl)-1-fluoro-2-pentylnaphthalene
SMILESC=CCCC1CCC(c2ccc3c(F)c(CCCCC)ccc3c2)CC1
InChIInChI=1S/C25H33F/c1-3-5-7-9-21-14-15-23-18-22(16-17-24(23)25(21)26)20-12-10-19(11-13-20)8-6-4-2/h4,14-20H,2-3,5-13H2,1H3
InChIKeyNMYYSPHXSREEFH-UHFFFAOYSA-N
MW352.54 g/mol
LogP7.95
Rot. Bonds8

About 6-(4-but-3-enylcyclohexyl)-1-fluoro-2-pentylnaphthalene

6-(4-but-3-enylcyclohexyl)-1-fluoro-2-pentylnaphthalene (PubChem CID 139860678) has the molecular formula C25H33F and a molecular weight of 352.54 g/mol. Its IUPAC name is 6-(4-but-3-enylcyclohexyl)-1-fluoro-2-pentylnaphthalene.

Molecular Properties

Compound Name6-(4-but-3-enylcyclohexyl)-1-fluoro-2-pentylnaphthalene
PubChem CID139860678
Molecular FormulaC25H33F
Molecular Weight352.54 g/mol
Exact Mass352.26
IUPAC Name6-(4-but-3-enylcyclohexyl)-1-fluoro-2-pentylnaphthalene
SMILESC=CCCC1CCC(c2ccc3c(F)c(CCCCC)ccc3c2)CC1
InChIInChI=1S/C25H33F/c1-3-5-7-9-21-14-15-23-18-22(16-17-24(23)25(21)26)20-12-10-19(11-13-20)8-6-4-2/h4,14-20H,2-3,5-13H2,1H3
InChIKeyNMYYSPHXSREEFH-UHFFFAOYSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.54
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139863783
2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene
CID 139862071
1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene
CID 139862905
6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene
CID 139864046
2-(4-but-3-enylcyclohexyl)-1-fluoro-6-pentylnaphthalene
CID 139863041
1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethynyl]-2-pentylnaphthalene
CID 139876757
2-but-3-enyl-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene
CID 139862169
6-[(2R,4aR)-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-but-3-enyl-1-fluoronaphthalene
CID 20807793
6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139860944
1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene
CID 139861263
6-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethynyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139876937
2-but-3-enyl-1-fluoro-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139862364

Frequently Asked Questions

What is the IUPAC name of 6-(4-but-3-enylcyclohexyl)-1-fluoro-2-pentylnaphthalene?
The IUPAC name of 6-(4-but-3-enylcyclohexyl)-1-fluoro-2-pentylnaphthalene (CID 139860678) is 6-(4-but-3-enylcyclohexyl)-1-fluoro-2-pentylnaphthalene.
What is the SMILES notation for 6-(4-but-3-enylcyclohexyl)-1-fluoro-2-pentylnaphthalene?
The canonical SMILES for 6-(4-but-3-enylcyclohexyl)-1-fluoro-2-pentylnaphthalene is C=CCCC1CCC(c2ccc3c(F)c(CCCCC)ccc3c2)CC1.
What is the InChIKey of 6-(4-but-3-enylcyclohexyl)-1-fluoro-2-pentylnaphthalene?
The InChIKey is NMYYSPHXSREEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F/c1-3-5-7-9-21-14-15-23-18-22(16-17-24(23)25(21)26)20-12-10-19(11-13-20)8-6-4-2/h4,14-20H,2-3,5-13H2,1H3.
What are the key properties of 6-(4-but-3-enylcyclohexyl)-1-fluoro-2-pentylnaphthalene?
6-(4-but-3-enylcyclohexyl)-1-fluoro-2-pentylnaphthalene has a molecular weight of 352.54 g/mol, XLogP of 7.95, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-but-3-enylcyclohexyl)-1-fluoro-2-pentylnaphthalene is sourced from PubChem (CID 139860678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).