5-fluoro-2-[2-(4-propylcyclohexyl)ethyl]-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene

C27H30F4 — CID 139961058

IUPAC5-fluoro-2-[2-(4-propylcyclohexyl)ethyl]-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
SMILESCCCC1CCC(CCC2=CCc3c(ccc(-c4cc(F)c(F)c(F)c4)c3F)C2)CC1
InChIInChI=1S/C27H30F4/c1-2-3-17-4-6-18(7-5-17)8-9-19-10-12-22-20(14-19)11-13-23(26(22)30)21-15-24(28)27(31)25(29)16-21/h10-11,13,15-18H,2-9,12,14H2,1H3
InChIKeyDDBZXJAOBVOTLD-UHFFFAOYSA-N
MW430.53 g/mol
LogP8.32
Rot. Bonds6

About 5-fluoro-2-[2-(4-propylcyclohexyl)ethyl]-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene

5-fluoro-2-[2-(4-propylcyclohexyl)ethyl]-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene (PubChem CID 139961058) has the molecular formula C27H30F4 and a molecular weight of 430.53 g/mol. Its IUPAC name is 5-fluoro-2-[2-(4-propylcyclohexyl)ethyl]-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene.

Molecular Properties

Compound Name5-fluoro-2-[2-(4-propylcyclohexyl)ethyl]-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
PubChem CID139961058
Molecular FormulaC27H30F4
Molecular Weight430.53 g/mol
Exact Mass430.23
IUPAC Name5-fluoro-2-[2-(4-propylcyclohexyl)ethyl]-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
SMILESCCCC1CCC(CCC2=CCc3c(ccc(-c4cc(F)c(F)c(F)c4)c3F)C2)CC1
InChIInChI=1S/C27H30F4/c1-2-3-17-4-6-18(7-5-17)8-9-19-10-12-22-20(14-19)11-13-23(26(22)30)21-15-24(28)27(31)25(29)16-21/h10-11,13,15-18H,2-9,12,14H2,1H3
InChIKeyDDBZXJAOBVOTLD-UHFFFAOYSA-N
XLogP8.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-hexyl-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139960719
2-[2-(4-ethylcyclohexyl)ethyl]-5-fluoro-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
CID 139960803
5,7-difluoro-2-[2-(4-hexylcyclohexyl)ethyl]-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139948696
5,7-difluoro-2-[2-(4-propylcyclohexyl)ethyl]-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139948743
2-[2-(4-butylcyclohexyl)ethyl]-5,7-difluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene
CID 139948908
2,3-difluoro-1-(4-propylcyclohexyl)-4-(3,4,5-trifluorophenyl)benzene
CID 118593448
2,2,4,4-tetradeuterio-8-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)-1,3-dihydronaphthalene
CID 58840072
2-(2,6-difluoro-4-pentylphenyl)-5-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139960805
2-[2-(4-butylcyclohexyl)ethyl]-5,7-difluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139948948
2-[2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]ethyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58839855
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 15389837
5,6,7-trifluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139948703

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-(4-propylcyclohexyl)ethyl]-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene?
The IUPAC name of 5-fluoro-2-[2-(4-propylcyclohexyl)ethyl]-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene (CID 139961058) is 5-fluoro-2-[2-(4-propylcyclohexyl)ethyl]-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene.
What is the SMILES notation for 5-fluoro-2-[2-(4-propylcyclohexyl)ethyl]-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene?
The canonical SMILES for 5-fluoro-2-[2-(4-propylcyclohexyl)ethyl]-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene is CCCC1CCC(CCC2=CCc3c(ccc(-c4cc(F)c(F)c(F)c4)c3F)C2)CC1.
What is the InChIKey of 5-fluoro-2-[2-(4-propylcyclohexyl)ethyl]-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene?
The InChIKey is DDBZXJAOBVOTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F4/c1-2-3-17-4-6-18(7-5-17)8-9-19-10-12-22-20(14-19)11-13-23(26(22)30)21-15-24(28)27(31)25(29)16-21/h10-11,13,15-18H,2-9,12,14H2,1H3.
What are the key properties of 5-fluoro-2-[2-(4-propylcyclohexyl)ethyl]-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene?
5-fluoro-2-[2-(4-propylcyclohexyl)ethyl]-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene has a molecular weight of 430.53 g/mol, XLogP of 8.32, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-(4-propylcyclohexyl)ethyl]-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene is sourced from PubChem (CID 139961058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).