6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene

C27H33F — CID 139852551

IUPAC6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
SMILESC/C=C/CCC1CCC(C2CCc3cc(-c4ccc(F)cc4)ccc3C2)CC1
InChIInChI=1S/C27H33F/c1-2-3-4-5-20-6-8-21(9-7-20)23-10-12-26-19-24(11-13-25(26)18-23)22-14-16-27(28)17-15-22/h2-3,11,13-17,19-21,23H,4-10,12,18H2,1H3/b3-2+
InChIKeyWDPUZLFEYYHHJH-NSCUHMNNSA-N
MW376.56 g/mol
LogP7.76
Rot. Bonds5

About 6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene

6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 139852551) has the molecular formula C27H33F and a molecular weight of 376.56 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID139852551
Molecular FormulaC27H33F
Molecular Weight376.56 g/mol
Exact Mass376.26
IUPAC Name6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
SMILESC/C=C/CCC1CCC(C2CCc3cc(-c4ccc(F)cc4)ccc3C2)CC1
InChIInChI=1S/C27H33F/c1-2-3-4-5-20-6-8-21(9-7-20)23-10-12-26-19-24(11-13-25(26)18-23)22-14-16-27(28)17-15-22/h2-3,11,13-17,19-21,23H,4-10,12,18H2,1H3/b3-2+
InChIKeyWDPUZLFEYYHHJH-NSCUHMNNSA-N
XLogP7.76
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 ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 139847974
7-fluoro-6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 139852837
2,6-difluoro-4-[6-[4-[(E)-pent-3-enyl]cyclohexyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzonitrile
CID 139852942
6-fluoro-2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139848472
7-fluoro-6-(4-fluorophenyl)-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139853229
6-ethenyl-2-(6-pent-3-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 173212641
6-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139852063
6-[4-[(E)-pent-3-enoxy]phenyl]-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139852890
6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139852909
6-(3,4-difluorophenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139852535
2-(4-butylcyclohexyl)-6-(4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852148
2-[(6R,8aR)-6-pent-3-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-heptyl-1,2,3,4-tetrahydronaphthalene
CID 91055196

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene (CID 139852551) is 6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene is C/C=C/CCC1CCC(C2CCc3cc(-c4ccc(F)cc4)ccc3C2)CC1.
What is the InChIKey of 6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is WDPUZLFEYYHHJH-NSCUHMNNSA-N. The full InChI is InChI=1S/C27H33F/c1-2-3-4-5-20-6-8-21(9-7-20)23-10-12-26-19-24(11-13-25(26)18-23)22-14-16-27(28)17-15-22/h2-3,11,13-17,19-21,23H,4-10,12,18H2,1H3/b3-2+.
What are the key properties of 6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene?
6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 376.56 g/mol, XLogP of 7.76, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139852551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).