8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[2-(4-propylcyclohexyl)ethyl]-1,2-dihydronaphthalene

C28H31F5O — CID 139960658

IUPAC8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[2-(4-propylcyclohexyl)ethyl]-1,2-dihydronaphthalene
SMILESCCCC1CCC(CCC2=Cc3ccc(-c4ccc(OC(F)(F)F)c(F)c4)c(F)c3CC2)CC1
InChIInChI=1S/C28H31F5O/c1-2-3-18-4-6-19(7-5-18)8-9-20-10-13-23-21(16-20)11-14-24(27(23)30)22-12-15-26(25(29)17-22)34-28(31,32)33/h11-12,14-19H,2-10,13H2,1H3
InChIKeyADNIPQUAMTYKHF-UHFFFAOYSA-N
MW478.55 g/mol
LogP9.25
Rot. Bonds7

About 8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[2-(4-propylcyclohexyl)ethyl]-1,2-dihydronaphthalene

8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[2-(4-propylcyclohexyl)ethyl]-1,2-dihydronaphthalene (PubChem CID 139960658) has the molecular formula C28H31F5O and a molecular weight of 478.55 g/mol. Its IUPAC name is 8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[2-(4-propylcyclohexyl)ethyl]-1,2-dihydronaphthalene.

Molecular Properties

Compound Name8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[2-(4-propylcyclohexyl)ethyl]-1,2-dihydronaphthalene
PubChem CID139960658
Molecular FormulaC28H31F5O
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC Name8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[2-(4-propylcyclohexyl)ethyl]-1,2-dihydronaphthalene
SMILESCCCC1CCC(CCC2=Cc3ccc(-c4ccc(OC(F)(F)F)c(F)c4)c(F)c3CC2)CC1
InChIInChI=1S/C28H31F5O/c1-2-3-18-4-6-19(7-5-18)8-9-20-10-13-23-21(16-20)11-14-24(27(23)30)22-12-15-26(25(29)17-22)34-28(31,32)33/h11-12,14-19H,2-10,13H2,1H3
InChIKeyADNIPQUAMTYKHF-UHFFFAOYSA-N
XLogP9.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.55
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene
CID 139960579
6,8-difluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[2-(4-pentylcyclohexyl)ethyl]-1,2-dihydronaphthalene
CID 139952091
7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-8-fluoro-3-[2-(4-hexylcyclohexyl)ethyl]-1,2-dihydronaphthalene
CID 139960524
6,8-difluoro-3-[2-(4-propylcyclohexyl)ethyl]-7-[4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene
CID 139952159
2-[2-(4-ethylcyclohexyl)ethyl]-5-fluoro-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
CID 139960803
6,8-difluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pentyl-1,2-dihydronaphthalene
CID 139952098
3-[2-(4-butylcyclohexyl)ethyl]-7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-6,8-difluoro-1,2-dihydronaphthalene
CID 139952221
6-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene
CID 139961192
3-[2-(4-butylcyclohexyl)ethyl]-7-(2,3-difluorophenyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960499
7-(2,3-difluorophenyl)-8-fluoro-3-[2-(4-hexylcyclohexyl)ethyl]-1,2-dihydronaphthalene
CID 139960552
3-[2-(4-butylcyclohexyl)ethyl]-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139961406
8-fluoro-3-hexyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139960330

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[2-(4-propylcyclohexyl)ethyl]-1,2-dihydronaphthalene?
The IUPAC name of 8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[2-(4-propylcyclohexyl)ethyl]-1,2-dihydronaphthalene (CID 139960658) is 8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[2-(4-propylcyclohexyl)ethyl]-1,2-dihydronaphthalene.
What is the SMILES notation for 8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[2-(4-propylcyclohexyl)ethyl]-1,2-dihydronaphthalene?
The canonical SMILES for 8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[2-(4-propylcyclohexyl)ethyl]-1,2-dihydronaphthalene is CCCC1CCC(CCC2=Cc3ccc(-c4ccc(OC(F)(F)F)c(F)c4)c(F)c3CC2)CC1.
What is the InChIKey of 8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[2-(4-propylcyclohexyl)ethyl]-1,2-dihydronaphthalene?
The InChIKey is ADNIPQUAMTYKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F5O/c1-2-3-18-4-6-19(7-5-18)8-9-20-10-13-23-21(16-20)11-14-24(27(23)30)22-12-15-26(25(29)17-22)34-28(31,32)33/h11-12,14-19H,2-10,13H2,1H3.
What are the key properties of 8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[2-(4-propylcyclohexyl)ethyl]-1,2-dihydronaphthalene?
8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[2-(4-propylcyclohexyl)ethyl]-1,2-dihydronaphthalene has a molecular weight of 478.55 g/mol, XLogP of 9.25, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[2-(4-propylcyclohexyl)ethyl]-1,2-dihydronaphthalene is sourced from PubChem (CID 139960658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).