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

C29H41F — CID 139863827

IUPAC6-ethyl-1-fluoro-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
SMILESCCCC1CCC(C2CCC(CCc3ccc4cc(CC)ccc4c3F)CC2)CC1
InChIInChI=1S/C29H41F/c1-3-5-22-6-12-24(13-7-22)25-14-8-23(9-15-25)10-16-26-17-18-27-20-21(4-2)11-19-28(27)29(26)30/h11,17-20,22-25H,3-10,12-16H2,1-2H3
InChIKeyMRBYDNVBBIJKJE-UHFFFAOYSA-N
MW408.65 g/mol
LogP8.89
Rot. Bonds7

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

6-ethyl-1-fluoro-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene (PubChem CID 139863827) has the molecular formula C29H41F and a molecular weight of 408.65 g/mol. Its IUPAC name is 6-ethyl-1-fluoro-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene.

Molecular Properties

Compound Name6-ethyl-1-fluoro-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
PubChem CID139863827
Molecular FormulaC29H41F
Molecular Weight408.65 g/mol
Exact Mass408.32
IUPAC Name6-ethyl-1-fluoro-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
SMILESCCCC1CCC(C2CCC(CCc3ccc4cc(CC)ccc4c3F)CC2)CC1
InChIInChI=1S/C29H41F/c1-3-5-22-6-12-24(13-7-22)25-14-8-23(9-15-25)10-16-26-17-18-27-20-21(4-2)11-19-28(27)29(26)30/h11,17-20,22-25H,3-10,12-16H2,1-2H3
InChIKeyMRBYDNVBBIJKJE-UHFFFAOYSA-N
XLogP8.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.65
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-2-pentyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861477
1-fluoro-6-[(E)-pent-3-enyl]-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863817
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene
CID 139861709
1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]-2-propylnaphthalene
CID 139863231
6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-[2-(4-methylcyclohexyl)ethyl]naphthalene
CID 139875831
2-ethoxy-1-fluoro-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861552
2-but-3-enyl-1-fluoro-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139862364
1-fluoro-2-pentyl-6-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene
CID 139861681
2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-(4-propylcyclohexyl)ethyl]naphthalene
CID 139871845
1,2-difluoro-7-pentyl-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863451
1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-(4-pentylcyclohexyl)ethyl]naphthalene
CID 139873920
6-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1-fluoro-2-propylnaphthalene
CID 139861143

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-fluoro-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene?
The IUPAC name of 6-ethyl-1-fluoro-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene (CID 139863827) is 6-ethyl-1-fluoro-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene.
What is the SMILES notation for 6-ethyl-1-fluoro-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene?
The canonical SMILES for 6-ethyl-1-fluoro-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene is CCCC1CCC(C2CCC(CCc3ccc4cc(CC)ccc4c3F)CC2)CC1.
What is the InChIKey of 6-ethyl-1-fluoro-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene?
The InChIKey is MRBYDNVBBIJKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41F/c1-3-5-22-6-12-24(13-7-22)25-14-8-23(9-15-25)10-16-26-17-18-27-20-21(4-2)11-19-28(27)29(26)30/h11,17-20,22-25H,3-10,12-16H2,1-2H3.
What are the key properties of 6-ethyl-1-fluoro-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene?
6-ethyl-1-fluoro-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene has a molecular weight of 408.65 g/mol, XLogP of 8.89, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-fluoro-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene is sourced from PubChem (CID 139863827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).