6,6,6-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine

C13H17F4NS — CID 115517085

IUPAC6,6,6-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
SMILESCNC(CCCC(F)(F)F)CSc1cccc(F)c1
InChIInChI=1S/C13H17F4NS/c1-18-11(5-3-7-13(15,16)17)9-19-12-6-2-4-10(14)8-12/h2,4,6,8,11,18H,3,5,7,9H2,1H3
InChIKeyHBKQCMYEQHATBI-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.24
Rot. Bonds7

About 6,6,6-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine

6,6,6-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine (PubChem CID 115517085) has the molecular formula C13H17F4NS and a molecular weight of 295.34 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
PubChem CID115517085
Molecular FormulaC13H17F4NS
Molecular Weight295.34 g/mol
Exact Mass295.10
IUPAC Name6,6,6-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
SMILESCNC(CCCC(F)(F)F)CSc1cccc(F)c1
InChIInChI=1S/C13H17F4NS/c1-18-11(5-3-7-13(15,16)17)9-19-12-6-2-4-10(14)8-12/h2,4,6,8,11,18H,3,5,7,9H2,1H3
InChIKeyHBKQCMYEQHATBI-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,6,6-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine 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

5,5,5-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylpentan-2-amine
CID 66072695
1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
CID 66070424
1-(3-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine
CID 107009283
4-ethyl-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
CID 82923342
[1-(3-bromophenyl)sulfanyl-6,6,6-trifluorohexan-2-yl]hydrazine
CID 105238354
1-(3-chlorophenyl)sulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine
CID 115517124
N-ethyl-1-(3-fluorophenyl)sulfanyl-5,5-dimethylhexan-2-amine
CID 66071674
1-(3-fluorophenyl)sulfanylnonan-2-ylhydrazine
CID 105236394
N-ethyl-1-(3-fluorophenyl)sulfanylnonan-2-amine
CID 66071669
1-(3-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66070622
1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072488
1-(3-fluorophenyl)sulfanyl-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 66072076

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine (CID 115517085) is 6,6,6-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine is CNC(CCCC(F)(F)F)CSc1cccc(F)c1.
What is the InChIKey of 6,6,6-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine?
The InChIKey is HBKQCMYEQHATBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4NS/c1-18-11(5-3-7-13(15,16)17)9-19-12-6-2-4-10(14)8-12/h2,4,6,8,11,18H,3,5,7,9H2,1H3.
What are the key properties of 6,6,6-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine?
6,6,6-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine has a molecular weight of 295.34 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine is sourced from PubChem (CID 115517085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).