2-methoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene

C12H13F3O — CID 163458109

IUPAC2-methoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
SMILESCOC1CCc2cc(C(F)(F)F)ccc2C1
InChIInChI=1S/C12H13F3O/c1-16-11-5-3-8-6-10(12(13,14)15)4-2-9(8)7-11/h2,4,6,11H,3,5,7H2,1H3
InChIKeyBMFIAALMGZWMOY-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.21
Rot. Bonds1

About 2-methoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene

2-methoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 163458109) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-methoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-methoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID163458109
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name2-methoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
SMILESCOC1CCc2cc(C(F)(F)F)ccc2C1
InChIInChI=1S/C12H13F3O/c1-16-11-5-3-8-6-10(12(13,14)15)4-2-9(8)7-11/h2,4,6,11H,3,5,7H2,1H3
InChIKeyBMFIAALMGZWMOY-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105437540
N-ethyl-3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
CID 14502067
2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 139864866
(2S)-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 131605067
2-[4-(4-propylcyclohexyl)cyclohexyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 58839727
6-(3-bromophenyl)-2-methoxy-1,2,3,4-tetrahydronaphthalene
CID 70312033
cyclopropyl-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 163681026
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline
CID 23087188
2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 162490775
1-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]piperidine
CID 19915673
[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methanamine
CID 115029003
(1R)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 29415647

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-methoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene (CID 163458109) is 2-methoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-methoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-methoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene is COC1CCc2cc(C(F)(F)F)ccc2C1.
What is the InChIKey of 2-methoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is BMFIAALMGZWMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c1-16-11-5-3-8-6-10(12(13,14)15)4-2-9(8)7-11/h2,4,6,11H,3,5,7H2,1H3.
What are the key properties of 2-methoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene?
2-methoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 230.23 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 163458109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).