2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene

C31H45F — CID 139861709

IUPAC2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene
SMILESCCCCCc1ccc2c(F)c(CCC3CCC(C4CCC(CC)CC4)CC3)ccc2c1
InChIInChI=1S/C31H45F/c1-3-5-6-7-25-13-21-30-29(22-25)20-19-28(31(30)32)18-12-24-10-16-27(17-11-24)26-14-8-23(4-2)9-15-26/h13,19-24,26-27H,3-12,14-18H2,1-2H3
InChIKeyGOGVZBFNYMHLNV-UHFFFAOYSA-N
MW436.70 g/mol
LogP9.67
Rot. Bonds9

About 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene

2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene (PubChem CID 139861709) has the molecular formula C31H45F and a molecular weight of 436.70 g/mol. Its IUPAC name is 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene.

Molecular Properties

Compound Name2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene
PubChem CID139861709
Molecular FormulaC31H45F
Molecular Weight436.70 g/mol
Exact Mass436.35
IUPAC Name2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene
SMILESCCCCCc1ccc2c(F)c(CCC3CCC(C4CCC(CC)CC4)CC3)ccc2c1
InChIInChI=1S/C31H45F/c1-3-5-6-7-25-13-21-30-29(22-25)20-19-28(31(30)32)18-12-24-10-16-27(17-11-24)26-14-8-23(4-2)9-15-26/h13,19-24,26-27H,3-12,14-18H2,1-2H3
InChIKeyGOGVZBFNYMHLNV-UHFFFAOYSA-N
XLogP9.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.70
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-2-pentyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861477
6-ethyl-1-fluoro-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863827
1-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,3-difluoro-4-pentylbenzene
CID 135193369
6-[2-(4-butylphenyl)ethynyl]-2-[2-(4-ethylcyclohexyl)ethyl]-1-fluoronaphthalene
CID 139876484
2-but-3-enyl-1-fluoro-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139862364
1,2-difluoro-7-pentyl-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863451
2-[2-(4-butylcyclohexyl)ethyl]-1-fluoro-6-[2-(4-hexylphenyl)ethynyl]naphthalene
CID 139876469
1-fluoro-6-[2-(4-hexylphenyl)ethynyl]-2-[2-(4-methylcyclohexyl)ethyl]naphthalene
CID 139875999
1-fluoro-2-pentyl-6-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene
CID 139861681
1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-(4-pentylcyclohexyl)ethyl]naphthalene
CID 139873920
1-fluoro-6-[(E)-pent-3-enyl]-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863817
2-[2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]ethynyl]-1-fluoro-6-pentylnaphthalene
CID 139876591

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene?
The IUPAC name of 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene (CID 139861709) is 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene.
What is the SMILES notation for 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene?
The canonical SMILES for 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene is CCCCCc1ccc2c(F)c(CCC3CCC(C4CCC(CC)CC4)CC3)ccc2c1.
What is the InChIKey of 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene?
The InChIKey is GOGVZBFNYMHLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45F/c1-3-5-6-7-25-13-21-30-29(22-25)20-19-28(31(30)32)18-12-24-10-16-27(17-11-24)26-14-8-23(4-2)9-15-26/h13,19-24,26-27H,3-12,14-18H2,1-2H3.
What are the key properties of 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene?
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene has a molecular weight of 436.70 g/mol, XLogP of 9.67, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene is sourced from PubChem (CID 139861709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).