7-ethyl-3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-8-fluoro-1,2-dihydronaphthalene

C26H30F2 — CID 139960412

IUPAC7-ethyl-3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-8-fluoro-1,2-dihydronaphthalene
SMILESCCc1ccc2c(c1F)CCC(c1ccc(C3CCC(CC)CC3)cc1F)=C2
InChIInChI=1S/C26H30F2/c1-3-17-5-7-19(8-6-17)20-11-13-23(25(27)16-20)21-12-14-24-22(15-21)10-9-18(4-2)26(24)28/h9-11,13,15-17,19H,3-8,12,14H2,1-2H3
InChIKeyBXKKJWBXJCCXOH-UHFFFAOYSA-N
MW380.52 g/mol
LogP7.70
Rot. Bonds4

About 7-ethyl-3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-8-fluoro-1,2-dihydronaphthalene

7-ethyl-3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-8-fluoro-1,2-dihydronaphthalene (PubChem CID 139960412) has the molecular formula C26H30F2 and a molecular weight of 380.52 g/mol. Its IUPAC name is 7-ethyl-3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-8-fluoro-1,2-dihydronaphthalene.

Molecular Properties

Compound Name7-ethyl-3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-8-fluoro-1,2-dihydronaphthalene
PubChem CID139960412
Molecular FormulaC26H30F2
Molecular Weight380.52 g/mol
Exact Mass380.23
IUPAC Name7-ethyl-3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-8-fluoro-1,2-dihydronaphthalene
SMILESCCc1ccc2c(c1F)CCC(c1ccc(C3CCC(CC)CC3)cc1F)=C2
InChIInChI=1S/C26H30F2/c1-3-17-5-7-19(8-6-17)20-11-13-23(25(27)16-20)21-12-14-24-22(15-21)10-9-18(4-2)26(24)28/h9-11,13,15-17,19H,3-8,12,14H2,1-2H3
InChIKeyBXKKJWBXJCCXOH-UHFFFAOYSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.52
LogP ≤ 57.70
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

7-ethyl-8-fluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene
CID 139960382
6-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-1,3-difluoro-7,8-dihydronaphthalene-2-carbonitrile
CID 139951958
6,7,8-trifluoro-3-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-1,2-dihydronaphthalene
CID 139952238
7-(4-ethyl-2,3-difluorophenyl)-8-fluoro-3-(2-fluoro-4-propylphenyl)-1,2-dihydronaphthalene
CID 139960643
3-(4-butyl-2,3-difluorophenyl)-7-ethyl-8-fluoro-1,2-dihydronaphthalene
CID 139960469
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
7-(3,4-difluorophenyl)-3-(4-ethylcyclohexyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960320
1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene
CID 67806520
5-[4-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 88998813
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031
7-ethyl-6-fluoro-3-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene
CID 139961108

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-8-fluoro-1,2-dihydronaphthalene?
The IUPAC name of 7-ethyl-3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-8-fluoro-1,2-dihydronaphthalene (CID 139960412) is 7-ethyl-3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-8-fluoro-1,2-dihydronaphthalene.
What is the SMILES notation for 7-ethyl-3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-8-fluoro-1,2-dihydronaphthalene?
The canonical SMILES for 7-ethyl-3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-8-fluoro-1,2-dihydronaphthalene is CCc1ccc2c(c1F)CCC(c1ccc(C3CCC(CC)CC3)cc1F)=C2.
What is the InChIKey of 7-ethyl-3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-8-fluoro-1,2-dihydronaphthalene?
The InChIKey is BXKKJWBXJCCXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2/c1-3-17-5-7-19(8-6-17)20-11-13-23(25(27)16-20)21-12-14-24-22(15-21)10-9-18(4-2)26(24)28/h9-11,13,15-17,19H,3-8,12,14H2,1-2H3.
What are the key properties of 7-ethyl-3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-8-fluoro-1,2-dihydronaphthalene?
7-ethyl-3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-8-fluoro-1,2-dihydronaphthalene has a molecular weight of 380.52 g/mol, XLogP of 7.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-8-fluoro-1,2-dihydronaphthalene is sourced from PubChem (CID 139960412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).