7-ethyl-6-fluoro-3-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene

C27H33F — CID 139961108

IUPAC7-ethyl-6-fluoro-3-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene
SMILESCCCC1CCC(c2ccc(C3=Cc4cc(F)c(CC)cc4CC3)cc2)CC1
InChIInChI=1S/C27H33F/c1-3-5-19-6-8-21(9-7-19)22-10-12-23(13-11-22)24-14-15-25-16-20(4-2)27(28)18-26(25)17-24/h10-13,16-19,21H,3-9,14-15H2,1-2H3
InChIKeyANOQZTAFDFUEQU-UHFFFAOYSA-N
MW376.56 g/mol
LogP7.95
Rot. Bonds5

About 7-ethyl-6-fluoro-3-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene

7-ethyl-6-fluoro-3-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene (PubChem CID 139961108) has the molecular formula C27H33F and a molecular weight of 376.56 g/mol. Its IUPAC name is 7-ethyl-6-fluoro-3-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene.

Molecular Properties

Compound Name7-ethyl-6-fluoro-3-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene
PubChem CID139961108
Molecular FormulaC27H33F
Molecular Weight376.56 g/mol
Exact Mass376.26
IUPAC Name7-ethyl-6-fluoro-3-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene
SMILESCCCC1CCC(c2ccc(C3=Cc4cc(F)c(CC)cc4CC3)cc2)CC1
InChIInChI=1S/C27H33F/c1-3-5-19-6-8-21(9-7-19)22-10-12-23(13-11-22)24-14-15-25-16-20(4-2)27(28)18-26(25)17-24/h10-13,16-19,21H,3-9,14-15H2,1-2H3
InChIKeyANOQZTAFDFUEQU-UHFFFAOYSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.56
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-ethylcyclohexyl)phenyl]-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961102
6-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-3-fluoro-7,8-dihydronaphthalene-2-carbonitrile
CID 139961405
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031
7-ethyl-8-fluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene
CID 139960382
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-(4-propylcyclohexyl)-1,2-dihydronaphthalene
CID 139961179
3-[4-(4-ethylcyclohexyl)phenyl]-6,8-difluoro-1,2-dihydronaphthalene
CID 139951917
6-fluoro-3-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-7-methoxy-1,2-dihydronaphthalene
CID 139961109
5,6,7-trifluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139948703
5,7-difluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139949006
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-fluoro-3-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene?
The IUPAC name of 7-ethyl-6-fluoro-3-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene (CID 139961108) is 7-ethyl-6-fluoro-3-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene.
What is the SMILES notation for 7-ethyl-6-fluoro-3-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene?
The canonical SMILES for 7-ethyl-6-fluoro-3-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene is CCCC1CCC(c2ccc(C3=Cc4cc(F)c(CC)cc4CC3)cc2)CC1.
What is the InChIKey of 7-ethyl-6-fluoro-3-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene?
The InChIKey is ANOQZTAFDFUEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F/c1-3-5-19-6-8-21(9-7-19)22-10-12-23(13-11-22)24-14-15-25-16-20(4-2)27(28)18-26(25)17-24/h10-13,16-19,21H,3-9,14-15H2,1-2H3.
What are the key properties of 7-ethyl-6-fluoro-3-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene?
7-ethyl-6-fluoro-3-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene has a molecular weight of 376.56 g/mol, XLogP of 7.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-fluoro-3-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene is sourced from PubChem (CID 139961108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).