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

C32H47F — CID 139861477

IUPAC1-fluoro-2-pentyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
SMILESCCCCCc1ccc2cc(CCC3CCC(C4CCC(CCC)CC4)CC3)ccc2c1F
InChIInChI=1S/C32H47F/c1-3-5-6-8-29-20-21-30-23-26(15-22-31(30)32(29)33)10-9-25-13-18-28(19-14-25)27-16-11-24(7-4-2)12-17-27/h15,20-25,27-28H,3-14,16-19H2,1-2H3
InChIKeyZVOJIROSHLBGOE-UHFFFAOYSA-N
MW450.73 g/mol
LogP10.06
Rot. Bonds10

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

1-fluoro-2-pentyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene (PubChem CID 139861477) has the molecular formula C32H47F and a molecular weight of 450.73 g/mol. Its IUPAC name is 1-fluoro-2-pentyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene.

Molecular Properties

Compound Name1-fluoro-2-pentyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
PubChem CID139861477
Molecular FormulaC32H47F
Molecular Weight450.73 g/mol
Exact Mass450.37
IUPAC Name1-fluoro-2-pentyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
SMILESCCCCCc1ccc2cc(CCC3CCC(C4CCC(CCC)CC4)CC3)ccc2c1F
InChIInChI=1S/C32H47F/c1-3-5-6-8-29-20-21-30-23-26(15-22-31(30)32(29)33)10-9-25-13-18-28(19-14-25)27-16-11-24(7-4-2)12-17-27/h15,20-25,27-28H,3-14,16-19H2,1-2H3
InChIKeyZVOJIROSHLBGOE-UHFFFAOYSA-N
XLogP10.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.73
LogP ≤ 510.06
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

2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene
CID 139861709
1-fluoro-2-pentyl-6-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene
CID 139861681
6-ethyl-1-fluoro-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863827
2-but-3-enyl-1-fluoro-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139862364
1-fluoro-2-hexyl-6-[2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]ethynyl]naphthalene
CID 139876680
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
1,2-difluoro-7-pentyl-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863451
1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]-2-propylnaphthalene
CID 139863231
1-fluoro-2-methoxy-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863128
2-ethoxy-1-fluoro-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861552
2,3-difluoro-1-pentyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
CID 158295310

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-pentyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene?
The IUPAC name of 1-fluoro-2-pentyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene (CID 139861477) is 1-fluoro-2-pentyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene.
What is the SMILES notation for 1-fluoro-2-pentyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene?
The canonical SMILES for 1-fluoro-2-pentyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene is CCCCCc1ccc2cc(CCC3CCC(C4CCC(CCC)CC4)CC3)ccc2c1F.
What is the InChIKey of 1-fluoro-2-pentyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene?
The InChIKey is ZVOJIROSHLBGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47F/c1-3-5-6-8-29-20-21-30-23-26(15-22-31(30)32(29)33)10-9-25-13-18-28(19-14-25)27-16-11-24(7-4-2)12-17-27/h15,20-25,27-28H,3-14,16-19H2,1-2H3.
What are the key properties of 1-fluoro-2-pentyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene?
1-fluoro-2-pentyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene has a molecular weight of 450.73 g/mol, XLogP of 10.06, 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-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene is sourced from PubChem (CID 139861477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).