2-methyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene

C12H13F3O — CID 58840067

IUPAC2-methyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCc2cc(OC(F)(F)F)ccc2C1
InChIInChI=1S/C12H13F3O/c1-8-2-3-10-7-11(16-12(13,14)15)5-4-9(10)6-8/h4-5,7-8H,2-3,6H2,1H3
InChIKeyXBIHYMJSNNNXGR-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.71
Rot. Bonds1

About 2-methyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene

2-methyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene (PubChem CID 58840067) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
PubChem CID58840067
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name2-methyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCc2cc(OC(F)(F)F)ccc2C1
InChIInChI=1S/C12H13F3O/c1-8-2-3-10-7-11(16-12(13,14)15)5-4-9(10)6-8/h4-5,7-8H,2-3,6H2,1H3
InChIKeyXBIHYMJSNNNXGR-UHFFFAOYSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-6-[6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene
CID 139848715
7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 19889857
6-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 20500036
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-(4-ethyl-2-fluorophenyl)ethyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848502
2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139847863
2-heptyl-6-[6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene
CID 139849239
(5S)-5-methyl-N'-[4-(trifluoromethoxy)benzoyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 2482559
2-methoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
CID 18377970
4-(trifluoromethoxy)-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
CID 142618085
5-methyl-N'-[4-(trifluoromethoxy)phenyl]sulfonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 46800111

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-methyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene (CID 58840067) is 2-methyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-methyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-methyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene is CC1CCc2cc(OC(F)(F)F)ccc2C1.
What is the InChIKey of 2-methyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is XBIHYMJSNNNXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c1-8-2-3-10-7-11(16-12(13,14)15)5-4-9(10)6-8/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 2-methyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene?
2-methyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 230.23 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 58840067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).