6-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1-fluoro-2-propylnaphthalene

C29H35F — CID 139861143

IUPAC6-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1-fluoro-2-propylnaphthalene
SMILESCCCc1ccc2cc(-c3ccc(CCC4CCC(CC)CC4)cc3)ccc2c1F
InChIInChI=1S/C29H35F/c1-3-5-25-16-17-27-20-26(18-19-28(27)29(25)30)24-14-12-23(13-15-24)11-10-22-8-6-21(4-2)7-9-22/h12-22H,3-11H2,1-2H3
InChIKeyCSXBBCRHBBZRJR-UHFFFAOYSA-N
MW402.60 g/mol
LogP8.75
Rot. Bonds7

About 6-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1-fluoro-2-propylnaphthalene

6-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1-fluoro-2-propylnaphthalene (PubChem CID 139861143) has the molecular formula C29H35F and a molecular weight of 402.60 g/mol. Its IUPAC name is 6-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1-fluoro-2-propylnaphthalene.

Molecular Properties

Compound Name6-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1-fluoro-2-propylnaphthalene
PubChem CID139861143
Molecular FormulaC29H35F
Molecular Weight402.60 g/mol
Exact Mass402.27
IUPAC Name6-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1-fluoro-2-propylnaphthalene
SMILESCCCc1ccc2cc(-c3ccc(CCC4CCC(CC)CC4)cc3)ccc2c1F
InChIInChI=1S/C29H35F/c1-3-5-25-16-17-27-20-26(18-19-28(27)29(25)30)24-14-12-23(13-15-24)11-10-22-8-6-21(4-2)7-9-22/h12-22H,3-11H2,1-2H3
InChIKeyCSXBBCRHBBZRJR-UHFFFAOYSA-N
XLogP8.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.60
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-2-pentyl-6-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene
CID 139861681
6-[2-(4-butylphenyl)ethynyl]-2-[2-(4-ethylcyclohexyl)ethyl]-1-fluoronaphthalene
CID 139876484
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene
CID 139861709
2,3-difluoro-1-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]phenyl]-4-propylbenzene
CID 154607322
6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene
CID 139864046
2-[2-(4-chloro-3-fluorophenyl)ethyl]-6-[2-(4-ethylcyclohexyl)ethyl]-1-fluoronaphthalene
CID 139872664
1-fluoro-2-hexyl-6-[2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]ethynyl]naphthalene
CID 139876680
1-fluoro-2-pentyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861477
1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-(4-pentylcyclohexyl)ethyl]naphthalene
CID 139873920
3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoro-7-propylnaphthalene
CID 139861073
1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]-2-propylnaphthalene
CID 139863231
2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6-[2-(4-ethylcyclohexyl)ethyl]-1-fluoronaphthalene
CID 139873933

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1-fluoro-2-propylnaphthalene?
The IUPAC name of 6-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1-fluoro-2-propylnaphthalene (CID 139861143) is 6-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1-fluoro-2-propylnaphthalene.
What is the SMILES notation for 6-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1-fluoro-2-propylnaphthalene?
The canonical SMILES for 6-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1-fluoro-2-propylnaphthalene is CCCc1ccc2cc(-c3ccc(CCC4CCC(CC)CC4)cc3)ccc2c1F.
What is the InChIKey of 6-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1-fluoro-2-propylnaphthalene?
The InChIKey is CSXBBCRHBBZRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F/c1-3-5-25-16-17-27-20-26(18-19-28(27)29(25)30)24-14-12-23(13-15-24)11-10-22-8-6-21(4-2)7-9-22/h12-22H,3-11H2,1-2H3.
What are the key properties of 6-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1-fluoro-2-propylnaphthalene?
6-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1-fluoro-2-propylnaphthalene has a molecular weight of 402.60 g/mol, XLogP of 8.75, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1-fluoro-2-propylnaphthalene is sourced from PubChem (CID 139861143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).