2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene

C27H28F6O — CID 139961611

IUPAC2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
SMILESCCCCC1CCC(c2cc(F)c(C3=CCc4cc(OC(F)(F)F)c(F)cc4C3)c(F)c2)CC1
InChIInChI=1S/C27H28F6O/c1-2-3-4-16-5-7-17(8-6-16)21-13-23(29)26(24(30)14-21)19-10-9-18-15-25(34-27(31,32)33)22(28)12-20(18)11-19/h10,12-17H,2-9,11H2,1H3
InChIKeyTUKWRYMFDOXXFB-UHFFFAOYSA-N
MW482.51 g/mol
LogP8.65
Rot. Bonds6

About 2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene

2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene (PubChem CID 139961611) has the molecular formula C27H28F6O and a molecular weight of 482.51 g/mol. Its IUPAC name is 2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene.

Molecular Properties

Compound Name2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
PubChem CID139961611
Molecular FormulaC27H28F6O
Molecular Weight482.51 g/mol
Exact Mass482.20
IUPAC Name2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
SMILESCCCCC1CCC(c2cc(F)c(C3=CCc4cc(OC(F)(F)F)c(F)cc4C3)c(F)c2)CC1
InChIInChI=1S/C27H28F6O/c1-2-3-4-16-5-7-17(8-6-16)21-13-23(29)26(24(30)14-21)19-10-9-18-15-25(34-27(31,32)33)22(28)12-20(18)11-19/h10,12-17H,2-9,11H2,1H3
InChIKeyTUKWRYMFDOXXFB-UHFFFAOYSA-N
XLogP8.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.51
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene
CID 139961510
2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1H-indene
CID 139967190
2-[2-(4-butylcyclohexyl)ethyl]-7-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139961768
2-[4-(4-butylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene
CID 139961736
6,7-difluoro-2-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139961787
2-[2,6-difluoro-4-(4-nonylcyclohexyl)phenyl]-5,6-difluoro-1H-indene
CID 139967145
5-[4-(4-butylcyclohexyl)cyclohexyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluorobenzene
CID 122469922
2-[4-(4-ethylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-1,4-dihydronaphthalene
CID 139961550
4-[[4-(4-butylcyclohexyl)phenyl]methyl]-2-fluoro-1-(trifluoromethoxy)benzene
CID 139748632
5,7-difluoro-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-(4-pentylcyclohexyl)-1,4-dihydronaphthalene
CID 139948737
2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(trifluoromethoxy)benzene
CID 19436057
7-fluoro-2-[2-(4-heptylcyclohexyl)ethyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848617

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene?
The IUPAC name of 2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene (CID 139961611) is 2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene.
What is the SMILES notation for 2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene?
The canonical SMILES for 2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene is CCCCC1CCC(c2cc(F)c(C3=CCc4cc(OC(F)(F)F)c(F)cc4C3)c(F)c2)CC1.
What is the InChIKey of 2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene?
The InChIKey is TUKWRYMFDOXXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F6O/c1-2-3-4-16-5-7-17(8-6-16)21-13-23(29)26(24(30)14-21)19-10-9-18-15-25(34-27(31,32)33)22(28)12-20(18)11-19/h10,12-17H,2-9,11H2,1H3.
What are the key properties of 2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene?
2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene has a molecular weight of 482.51 g/mol, XLogP of 8.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene is sourced from PubChem (CID 139961611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).