5-fluoro-6-(4-fluorophenyl)-2-(4-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene

C27H34F2 — CID 139853005

IUPAC5-fluoro-6-(4-fluorophenyl)-2-(4-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCC1CCC(C2CCc3c(ccc(-c4ccc(F)cc4)c3F)C2)CC1
InChIInChI=1S/C27H34F2/c1-2-3-4-5-19-6-8-20(9-7-19)22-12-16-26-23(18-22)13-17-25(27(26)29)21-10-14-24(28)15-11-21/h10-11,13-15,17,19-20,22H,2-9,12,16,18H2,1H3
InChIKeyCGJXITSNAHMQGH-UHFFFAOYSA-N
MW396.57 g/mol
LogP8.12
Rot. Bonds6

About 5-fluoro-6-(4-fluorophenyl)-2-(4-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene

5-fluoro-6-(4-fluorophenyl)-2-(4-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139853005) has the molecular formula C27H34F2 and a molecular weight of 396.57 g/mol. Its IUPAC name is 5-fluoro-6-(4-fluorophenyl)-2-(4-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name5-fluoro-6-(4-fluorophenyl)-2-(4-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID139853005
Molecular FormulaC27H34F2
Molecular Weight396.57 g/mol
Exact Mass396.26
IUPAC Name5-fluoro-6-(4-fluorophenyl)-2-(4-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCC1CCC(C2CCc3c(ccc(-c4ccc(F)cc4)c3F)C2)CC1
InChIInChI=1S/C27H34F2/c1-2-3-4-5-19-6-8-20(9-7-19)22-12-16-26-23(18-22)13-17-25(27(26)29)21-10-14-24(28)15-11-21/h10-11,13-15,17,19-20,22H,2-9,12,16,18H2,1H3
InChIKeyCGJXITSNAHMQGH-UHFFFAOYSA-N
XLogP8.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.57
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butylcyclohexyl)-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139852117
6-(4-chlorophenyl)-5-fluoro-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 58840200
2-[4-(4-ethoxybutyl)cyclohexyl]-5-fluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 58839903
2-(4-ethylcyclohexyl)-5-fluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 58840084
5-fluoro-2-(6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 139866001
5-fluoro-2-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 139865787
6-fluoro-2-[6-(4-hexylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 139867557
5,6,7-trifluoro-2-[6-(4-hexylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 139866393
2-butyl-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139852102
5,6-difluoro-2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 122609107
6-(difluoromethoxy)-5-fluoro-2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865562
6-fluoro-2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139866089

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(4-fluorophenyl)-2-(4-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 5-fluoro-6-(4-fluorophenyl)-2-(4-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene (CID 139853005) is 5-fluoro-6-(4-fluorophenyl)-2-(4-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 5-fluoro-6-(4-fluorophenyl)-2-(4-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 5-fluoro-6-(4-fluorophenyl)-2-(4-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene is CCCCCC1CCC(C2CCc3c(ccc(-c4ccc(F)cc4)c3F)C2)CC1.
What is the InChIKey of 5-fluoro-6-(4-fluorophenyl)-2-(4-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is CGJXITSNAHMQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F2/c1-2-3-4-5-19-6-8-20(9-7-19)22-12-16-26-23(18-22)13-17-25(27(26)29)21-10-14-24(28)15-11-21/h10-11,13-15,17,19-20,22H,2-9,12,16,18H2,1H3.
What are the key properties of 5-fluoro-6-(4-fluorophenyl)-2-(4-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
5-fluoro-6-(4-fluorophenyl)-2-(4-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 396.57 g/mol, XLogP of 8.12, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(4-fluorophenyl)-2-(4-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139853005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).