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

C27H33F — CID 139848472

IUPAC6-fluoro-2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene
SMILESC/C=C/CCC1CCC(c2ccc(C3CCc4cc(F)ccc4C3)cc2)CC1
InChIInChI=1S/C27H33F/c1-2-3-4-5-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-19-27(28)17-16-25(26)18-24/h2-3,10-13,16-17,19-21,24H,4-9,14-15,18H2,1H3/b3-2+
InChIKeyAHNVZOMUJKTUKB-NSCUHMNNSA-N
MW376.56 g/mol
LogP7.73
Rot. Bonds5

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

6-fluoro-2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 139848472) has the molecular formula C27H33F and a molecular weight of 376.56 g/mol. Its IUPAC name is 6-fluoro-2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-fluoro-2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID139848472
Molecular FormulaC27H33F
Molecular Weight376.56 g/mol
Exact Mass376.26
IUPAC Name6-fluoro-2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene
SMILESC/C=C/CCC1CCC(c2ccc(C3CCc4cc(F)ccc4C3)cc2)CC1
InChIInChI=1S/C27H33F/c1-2-3-4-5-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-19-27(28)17-16-25(26)18-24/h2-3,10-13,16-17,19-21,24H,4-9,14-15,18H2,1H3/b3-2+
InChIKeyAHNVZOMUJKTUKB-NSCUHMNNSA-N
XLogP7.73
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 ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-fluoro-2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene with MolForge

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Related Compounds

7-fluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 139847974
6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 139852551
1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 23569878
2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-ethyl-1,2,3,4-tetrahydronaphthalene
CID 139849353
ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 90851884
2-(3,4-difluorophenyl)-7-[(E)-pent-3-enyl]-1,2,3,4,5,6,7,8-octahydrophenanthrene
CID 22045541
2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139849045
1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene
CID 18341909
2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139849040
1-fluoro-4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]benzene
CID 19798819
N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline
CID 145235011
1,2,3-trifluoro-5-[4-[2-(4-pent-3-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54176801

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-fluoro-2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene (CID 139848472) is 6-fluoro-2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-fluoro-2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-fluoro-2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene is C/C=C/CCC1CCC(c2ccc(C3CCc4cc(F)ccc4C3)cc2)CC1.
What is the InChIKey of 6-fluoro-2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is AHNVZOMUJKTUKB-NSCUHMNNSA-N. The full InChI is InChI=1S/C27H33F/c1-2-3-4-5-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-19-27(28)17-16-25(26)18-24/h2-3,10-13,16-17,19-21,24H,4-9,14-15,18H2,1H3/b3-2+.
What are the key properties of 6-fluoro-2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene?
6-fluoro-2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 376.56 g/mol, XLogP of 7.73, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139848472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).