5,5,5-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylpentan-2-amine

C12H15F4NS — CID 66072695

IUPAC5,5,5-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylpentan-2-amine
SMILESCNC(CCC(F)(F)F)CSc1cccc(F)c1
InChIInChI=1S/C12H15F4NS/c1-17-10(5-6-12(14,15)16)8-18-11-4-2-3-9(13)7-11/h2-4,7,10,17H,5-6,8H2,1H3
InChIKeyNCTJENCSGJTTTK-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.85
Rot. Bonds6

About 5,5,5-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylpentan-2-amine

5,5,5-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylpentan-2-amine (PubChem CID 66072695) has the molecular formula C12H15F4NS and a molecular weight of 281.32 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylpentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylpentan-2-amine
PubChem CID66072695
Molecular FormulaC12H15F4NS
Molecular Weight281.32 g/mol
Exact Mass281.09
IUPAC Name5,5,5-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylpentan-2-amine
SMILESCNC(CCC(F)(F)F)CSc1cccc(F)c1
InChIInChI=1S/C12H15F4NS/c1-17-10(5-6-12(14,15)16)8-18-11-4-2-3-9(13)7-11/h2-4,7,10,17H,5-6,8H2,1H3
InChIKeyNCTJENCSGJTTTK-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,6,6-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
CID 115517085
1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
CID 66070424
4-ethyl-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
CID 82923342
N-ethyl-1-(3-fluorophenyl)sulfanyl-5,5-dimethylhexan-2-amine
CID 66071674
1-(3-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine
CID 107009283
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
1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 66071041
1-(3-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103035763
1-(3-bromo-4-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66073323
1-(2-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine
CID 66140167
N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
CID 64626090

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylpentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylpentan-2-amine (CID 66072695) is 5,5,5-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylpentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylpentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylpentan-2-amine is CNC(CCC(F)(F)F)CSc1cccc(F)c1.
What is the InChIKey of 5,5,5-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylpentan-2-amine?
The InChIKey is NCTJENCSGJTTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4NS/c1-17-10(5-6-12(14,15)16)8-18-11-4-2-3-9(13)7-11/h2-4,7,10,17H,5-6,8H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylpentan-2-amine?
5,5,5-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylpentan-2-amine has a molecular weight of 281.32 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylpentan-2-amine is sourced from PubChem (CID 66072695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).