1-methyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene

C12H13F3 — CID 156843578

IUPAC1-methyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCCc2cccc(C(F)(F)F)c21
InChIInChI=1S/C12H13F3/c1-8-4-2-5-9-6-3-7-10(11(8)9)12(13,14)15/h3,6-8H,2,4-5H2,1H3
InChIKeyUNJBPBVJHMCZLT-UHFFFAOYSA-N
MW214.23 g/mol
LogP4.15
Rot. Bonds

About 1-methyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene

1-methyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 156843578) has the molecular formula C12H13F3 and a molecular weight of 214.23 g/mol. Its IUPAC name is 1-methyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-methyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID156843578
Molecular FormulaC12H13F3
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name1-methyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCCc2cccc(C(F)(F)F)c21
InChIInChI=1S/C12H13F3/c1-8-4-2-5-9-6-3-7-10(11(8)9)12(13,14)15/h3,6-8H,2,4-5H2,1H3
InChIKeyUNJBPBVJHMCZLT-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydrochrysene
CID 174400192
(5R,6S)-6-amino-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 51600967
4-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 126626843
(1S)-7-fluoro-1-methyl-2,3-dihydro-1H-indene
CID 89205877
(4R)-4,8-dimethyl-7-(trifluoromethyl)-1,2,3,4-tetrahydrochrysene;pyrazine
CID 174412915
8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene
CID 123348757
N-methyl-5-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
CID 105453322
(4R)-4,7-dimethyl-1,2,3,4-tetrahydrochrysene;pyrazine
CID 174401157
(1R)-1-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 118084320
2-[7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]propan-2-yl 2-methylprop-2-enoate
CID 89474742
1,5-dimethylpyrrolidin-2-one;ethane;2-methyl-1,3-bis(trifluoromethyl)benzene
CID 142809226
7-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene;pyrazine
CID 174412192

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-methyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene (CID 156843578) is 1-methyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-methyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-methyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene is CC1CCCc2cccc(C(F)(F)F)c21.
What is the InChIKey of 1-methyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is UNJBPBVJHMCZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3/c1-8-4-2-5-9-6-3-7-10(11(8)9)12(13,14)15/h3,6-8H,2,4-5H2,1H3.
What are the key properties of 1-methyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene?
1-methyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 214.23 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 156843578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).