1-fluoro-2-pentyl-6-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene

C32H41F — CID 139861681

IUPAC1-fluoro-2-pentyl-6-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene
SMILESCCCCCc1ccc2cc(-c3ccc(CCC4CCC(CCC)CC4)cc3)ccc2c1F
InChIInChI=1S/C32H41F/c1-3-5-6-8-28-19-20-30-23-29(21-22-31(30)32(28)33)27-17-15-26(16-18-27)14-13-25-11-9-24(7-4-2)10-12-25/h15-25H,3-14H2,1-2H3
InChIKeyHMEHROSQNDBQND-UHFFFAOYSA-N
MW444.68 g/mol
LogP9.92
Rot. Bonds10

About 1-fluoro-2-pentyl-6-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene

1-fluoro-2-pentyl-6-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene (PubChem CID 139861681) has the molecular formula C32H41F and a molecular weight of 444.68 g/mol. Its IUPAC name is 1-fluoro-2-pentyl-6-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene.

Molecular Properties

Compound Name1-fluoro-2-pentyl-6-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene
PubChem CID139861681
Molecular FormulaC32H41F
Molecular Weight444.68 g/mol
Exact Mass444.32
IUPAC Name1-fluoro-2-pentyl-6-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene
SMILESCCCCCc1ccc2cc(-c3ccc(CCC4CCC(CCC)CC4)cc3)ccc2c1F
InChIInChI=1S/C32H41F/c1-3-5-6-8-28-19-20-30-23-29(21-22-31(30)32(28)33)27-17-15-26(16-18-27)14-13-25-11-9-24(7-4-2)10-12-25/h15-25H,3-14H2,1-2H3
InChIKeyHMEHROSQNDBQND-UHFFFAOYSA-N
XLogP9.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.68
LogP ≤ 59.92
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

6-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1-fluoro-2-propylnaphthalene
CID 139861143
1-fluoro-2-pentyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861477
1-fluoro-2-hexyl-6-[2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]ethynyl]naphthalene
CID 139876680
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene
CID 139861709
1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-(4-pentylcyclohexyl)ethyl]naphthalene
CID 139873920
1-fluoro-6-(4-pentylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139873693
6-ethyl-1-fluoro-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863827
2-[2-(4-butylcyclohexyl)ethyl]-1-fluoro-6-[2-(4-hexylphenyl)ethynyl]naphthalene
CID 139876469
6-[2-(4-butylphenyl)ethynyl]-2-[2-(4-ethylcyclohexyl)ethyl]-1-fluoronaphthalene
CID 139876484
2-[2-(4-chloro-3,5-difluorophenyl)ethyl]-1-fluoro-6-[2-(4-hexylcyclohexyl)ethyl]naphthalene
CID 139871039
1-fluoro-6-[2-(4-hexylphenyl)ethynyl]-2-[2-(4-methylcyclohexyl)ethyl]naphthalene
CID 139875999
1-fluoro-6-heptyl-2-[2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]ethynyl]naphthalene
CID 139876314

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-pentyl-6-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene?
The IUPAC name of 1-fluoro-2-pentyl-6-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene (CID 139861681) is 1-fluoro-2-pentyl-6-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene.
What is the SMILES notation for 1-fluoro-2-pentyl-6-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene?
The canonical SMILES for 1-fluoro-2-pentyl-6-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene is CCCCCc1ccc2cc(-c3ccc(CCC4CCC(CCC)CC4)cc3)ccc2c1F.
What is the InChIKey of 1-fluoro-2-pentyl-6-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene?
The InChIKey is HMEHROSQNDBQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41F/c1-3-5-6-8-28-19-20-30-23-29(21-22-31(30)32(28)33)27-17-15-26(16-18-27)14-13-25-11-9-24(7-4-2)10-12-25/h15-25H,3-14H2,1-2H3.
What are the key properties of 1-fluoro-2-pentyl-6-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene?
1-fluoro-2-pentyl-6-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene has a molecular weight of 444.68 g/mol, XLogP of 9.92, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-pentyl-6-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene is sourced from PubChem (CID 139861681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).