(1R)-1-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene

C12H13F3 — CID 118084320

IUPAC(1R)-1-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
SMILESC[C@@H]1CCCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C12H13F3/c1-8-3-2-4-9-5-6-10(7-11(8)9)12(13,14)15/h5-8H,2-4H2,1H3/t8-/m1/s1
InChIKeyVZQRPTJNRBBTSU-MRVPVSSYSA-N
MW214.23 g/mol
LogP4.15
Rot. Bonds

About (1R)-1-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene

(1R)-1-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 118084320) has the molecular formula C12H13F3 and a molecular weight of 214.23 g/mol. Its IUPAC name is (1R)-1-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1R)-1-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID118084320
Molecular FormulaC12H13F3
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name(1R)-1-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
SMILESC[C@@H]1CCCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C12H13F3/c1-8-3-2-4-9-5-6-10(7-11(8)9)12(13,14)15/h5-8H,2-4H2,1H3/t8-/m1/s1
InChIKeyVZQRPTJNRBBTSU-MRVPVSSYSA-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

Analyze (1R)-1-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1R)-1-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene (CID 118084320) is (1R)-1-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1R)-1-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1R)-1-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene is C[C@@H]1CCCc2ccc(C(F)(F)F)cc21.
What is the InChIKey of (1R)-1-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is VZQRPTJNRBBTSU-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13F3/c1-8-3-2-4-9-5-6-10(7-11(8)9)12(13,14)15/h5-8H,2-4H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene?
(1R)-1-methyl-7-(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 (1R)-1-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 118084320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).