2-methyl-6-[6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene

C22H19F3O — CID 139848715

IUPAC2-methyl-6-[6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene
SMILESCc1ccc2cc(C3CCc4cc(OC(F)(F)F)ccc4C3)ccc2c1
InChIInChI=1S/C22H19F3O/c1-14-2-3-16-11-17(5-4-15(16)10-14)18-6-7-20-13-21(26-22(23,24)25)9-8-19(20)12-18/h2-5,8-11,13,18H,6-7,12H2,1H3
InChIKeyOZYSKZXLNGWFQE-UHFFFAOYSA-N
MW356.39 g/mol
LogP6.32
Rot. Bonds2

About 2-methyl-6-[6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene

2-methyl-6-[6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene (PubChem CID 139848715) has the molecular formula C22H19F3O and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-methyl-6-[6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene.

Molecular Properties

Compound Name2-methyl-6-[6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene
PubChem CID139848715
Molecular FormulaC22H19F3O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name2-methyl-6-[6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene
SMILESCc1ccc2cc(C3CCc4cc(OC(F)(F)F)ccc4C3)ccc2c1
InChIInChI=1S/C22H19F3O/c1-14-2-3-16-11-17(5-4-15(16)10-14)18-6-7-20-13-21(26-22(23,24)25)9-8-19(20)12-18/h2-5,8-11,13,18H,6-7,12H2,1H3
InChIKeyOZYSKZXLNGWFQE-UHFFFAOYSA-N
XLogP6.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.39
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-methylnaphthalene
CID 139848916
2-heptyl-6-[6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene
CID 139849239
2-methyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 58840067
2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-methylnaphthalene
CID 139849532
2-(2,6-difluoro-4-propylphenyl)-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139849153
2-(4-butyl-2-fluorophenyl)-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848035
2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139847863
6-(4-fluorophenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852847
2-[(E)-prop-1-enyl]-7-[4-(trifluoromethoxy)phenyl]-1,2,3,4,5,6,7,8-octahydrophenanthrene
CID 22045203
6-naphthalen-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 140990323
2-cyclopropyl-7-methylnaphthalene
CID 176713070
2-ethyl-6-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene
CID 139848861

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene?
The IUPAC name of 2-methyl-6-[6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene (CID 139848715) is 2-methyl-6-[6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene.
What is the SMILES notation for 2-methyl-6-[6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene?
The canonical SMILES for 2-methyl-6-[6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene is Cc1ccc2cc(C3CCc4cc(OC(F)(F)F)ccc4C3)ccc2c1.
What is the InChIKey of 2-methyl-6-[6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene?
The InChIKey is OZYSKZXLNGWFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3O/c1-14-2-3-16-11-17(5-4-15(16)10-14)18-6-7-20-13-21(26-22(23,24)25)9-8-19(20)12-18/h2-5,8-11,13,18H,6-7,12H2,1H3.
What are the key properties of 2-methyl-6-[6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene?
2-methyl-6-[6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene has a molecular weight of 356.39 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene is sourced from PubChem (CID 139848715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).