6-(4-chlorophenyl)-5-fluoro-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene

C25H30ClF — CID 58840200

IUPAC6-(4-chlorophenyl)-5-fluoro-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCC1CCC(C2CCc3c(ccc(-c4ccc(Cl)cc4)c3F)C2)CC1
InChIInChI=1S/C25H30ClF/c1-2-3-17-4-6-18(7-5-17)20-10-14-24-21(16-20)11-15-23(25(24)27)19-8-12-22(26)13-9-19/h8-9,11-13,15,17-18,20H,2-7,10,14,16H2,1H3
InChIKeyKLFHATVDJPKPTD-UHFFFAOYSA-N
MW384.97 g/mol
LogP7.86
Rot. Bonds4

About 6-(4-chlorophenyl)-5-fluoro-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene

6-(4-chlorophenyl)-5-fluoro-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 58840200) has the molecular formula C25H30ClF and a molecular weight of 384.97 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-fluoro-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-fluoro-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID58840200
Molecular FormulaC25H30ClF
Molecular Weight384.97 g/mol
Exact Mass384.20
IUPAC Name6-(4-chlorophenyl)-5-fluoro-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCC1CCC(C2CCc3c(ccc(-c4ccc(Cl)cc4)c3F)C2)CC1
InChIInChI=1S/C25H30ClF/c1-2-3-17-4-6-18(7-5-17)20-10-14-24-21(16-20)11-15-23(25(24)27)19-8-12-22(26)13-9-19/h8-9,11-13,15,17-18,20H,2-7,10,14,16H2,1H3
InChIKeyKLFHATVDJPKPTD-UHFFFAOYSA-N
XLogP7.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.97
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-butylcyclohexyl)-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139852117
5-fluoro-6-(4-fluorophenyl)-2-(4-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139853005
2-(4-ethylcyclohexyl)-5-fluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 58840084
5,6-difluoro-2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 122609107
6-[2-(2,3-difluorophenyl)ethynyl]-5-fluoro-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139853435
2-[4-(4-ethoxybutyl)cyclohexyl]-5-fluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 58839903
2-butyl-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139852102
6-(3,4-difluorophenyl)-2-ethyl-5-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139852568
5,6-difluoro-2-[6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 139869718
5-fluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139852688
2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene
CID 145488540
1-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 67739856

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-fluoro-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(4-chlorophenyl)-5-fluoro-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene (CID 58840200) is 6-(4-chlorophenyl)-5-fluoro-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(4-chlorophenyl)-5-fluoro-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(4-chlorophenyl)-5-fluoro-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene is CCCC1CCC(C2CCc3c(ccc(-c4ccc(Cl)cc4)c3F)C2)CC1.
What is the InChIKey of 6-(4-chlorophenyl)-5-fluoro-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is KLFHATVDJPKPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClF/c1-2-3-17-4-6-18(7-5-17)20-10-14-24-21(16-20)11-15-23(25(24)27)19-8-12-22(26)13-9-19/h8-9,11-13,15,17-18,20H,2-7,10,14,16H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-5-fluoro-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
6-(4-chlorophenyl)-5-fluoro-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 384.97 g/mol, XLogP of 7.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-fluoro-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 58840200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).