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

C27H32F2 — CID 139852837

IUPAC7-fluoro-6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
SMILESC/C=C/CCC1CCC(C2CCc3cc(-c4ccc(F)cc4)c(F)cc3C2)CC1
InChIInChI=1S/C27H32F2/c1-2-3-4-5-19-6-8-20(9-7-19)22-10-11-23-17-26(27(29)18-24(23)16-22)21-12-14-25(28)15-13-21/h2-3,12-15,17-20,22H,4-11,16H2,1H3/b3-2+
InChIKeyUSHORKXVXDPJGG-NSCUHMNNSA-N
MW394.55 g/mol
LogP7.90
Rot. Bonds5

About 7-fluoro-6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene

7-fluoro-6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 139852837) has the molecular formula C27H32F2 and a molecular weight of 394.55 g/mol. Its IUPAC name is 7-fluoro-6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name7-fluoro-6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID139852837
Molecular FormulaC27H32F2
Molecular Weight394.55 g/mol
Exact Mass394.25
IUPAC Name7-fluoro-6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
SMILESC/C=C/CCC1CCC(C2CCc3cc(-c4ccc(F)cc4)c(F)cc3C2)CC1
InChIInChI=1S/C27H32F2/c1-2-3-4-5-19-6-8-20(9-7-19)22-10-11-23-17-26(27(29)18-24(23)16-22)21-12-14-25(28)15-13-21/h2-3,12-15,17-20,22H,4-11,16H2,1H3/b3-2+
InChIKeyUSHORKXVXDPJGG-NSCUHMNNSA-N
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.55
LogP ≤ 57.90
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-6-(4-fluorophenyl)-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139853229
6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 139852551
7-fluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 139847974
2,6-difluoro-4-[6-[4-[(E)-pent-3-enyl]cyclohexyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzonitrile
CID 139852942
2-(4-butylcyclohexyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139852159
2-ethyl-7-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852706
6-fluoro-2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139848472
2-(4-ethenylcyclohexyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139853275
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
CID 88998500
CID 88998500
2,3-difluoro-1-[4-[3-fluoro-4-[4-(4-pent-3-enylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-4-propylbenzene
CID 77345707
1,2,3-trifluoro-5-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 67590146

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 7-fluoro-6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene (CID 139852837) is 7-fluoro-6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 7-fluoro-6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 7-fluoro-6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene is C/C=C/CCC1CCC(C2CCc3cc(-c4ccc(F)cc4)c(F)cc3C2)CC1.
What is the InChIKey of 7-fluoro-6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is USHORKXVXDPJGG-NSCUHMNNSA-N. The full InChI is InChI=1S/C27H32F2/c1-2-3-4-5-19-6-8-20(9-7-19)22-10-11-23-17-26(27(29)18-24(23)16-22)21-12-14-25(28)15-13-21/h2-3,12-15,17-20,22H,4-11,16H2,1H3/b3-2+.
What are the key properties of 7-fluoro-6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene?
7-fluoro-6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 394.55 g/mol, XLogP of 7.90, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139852837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).