8-(trifluoromethylsulfanyl)-1,2,3,4-tetrahydroisoquinoline

C10H10F3NS — CID 23336540

IUPAC8-(trifluoromethylsulfanyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)(F)Sc1cccc2c1CNCC2
InChIInChI=1S/C10H10F3NS/c11-10(12,13)15-9-3-1-2-7-4-5-14-6-8(7)9/h1-3,14H,4-6H2
InChIKeyWCWCTMDWOKDPID-UHFFFAOYSA-N
MW233.26 g/mol
LogP2.94
Rot. Bonds1

About 8-(trifluoromethylsulfanyl)-1,2,3,4-tetrahydroisoquinoline

8-(trifluoromethylsulfanyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 23336540) has the molecular formula C10H10F3NS and a molecular weight of 233.26 g/mol. Its IUPAC name is 8-(trifluoromethylsulfanyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-(trifluoromethylsulfanyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID23336540
Molecular FormulaC10H10F3NS
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name8-(trifluoromethylsulfanyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)(F)Sc1cccc2c1CNCC2
InChIInChI=1S/C10H10F3NS/c11-10(12,13)15-9-3-1-2-7-4-5-14-6-8(7)9/h1-3,14H,4-6H2
InChIKeyWCWCTMDWOKDPID-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-(trifluoromethylsulfanyl)-1,2,3,4-tetrahydroisoquinoline with MolForge

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

Launch Full Analysis

Related Compounds

3-(Fluoromethyl)-7-methanesulfonyl-1,2,3,4-tetrahydroisoquinoline
CID 10610245
7-Methanesulfonyl-3-trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline
CID 44340588
7-Methylsulfanyl-1,2,3,4-tetrahydro-isoquinoline
CID 10154309
7-sulfonyl-THIQ 24
CID 16082608
7-sulfonyl-THIQ 30
CID 16082631
(+/-)-3-Difluoromethyl-7-methylsulfonyl-1,2,3,4-tetrahydroisoquinoline
CID 11514913
7-Methylsulfinyl-1,2,3,4-tetrahydroisoquinoline
CID 23336593
4,4-Difluoro-1,2,3,4-tetrahydroisoquinoline
CID 2774227
(3S)-7-methylsulfonyl-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 44363252
(3R)-7-methylsulfonyl-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 44363253
2-Thia-12-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaene
CID 56620
6-(Methylsulfanyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride
CID 71429514

Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethylsulfanyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-(trifluoromethylsulfanyl)-1,2,3,4-tetrahydroisoquinoline (CID 23336540) is 8-(trifluoromethylsulfanyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-(trifluoromethylsulfanyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-(trifluoromethylsulfanyl)-1,2,3,4-tetrahydroisoquinoline is FC(F)(F)Sc1cccc2c1CNCC2.
What is the InChIKey of 8-(trifluoromethylsulfanyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is WCWCTMDWOKDPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NS/c11-10(12,13)15-9-3-1-2-7-4-5-14-6-8(7)9/h1-3,14H,4-6H2.
What are the key properties of 8-(trifluoromethylsulfanyl)-1,2,3,4-tetrahydroisoquinoline?
8-(trifluoromethylsulfanyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 233.26 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethylsulfanyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 23336540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).