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

C12H15ClF3NS — CID 66140167

IUPAC1-(2-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine
SMILESCNC(CCC(F)(F)F)CSc1ccccc1Cl
InChIInChI=1S/C12H15ClF3NS/c1-17-9(6-7-12(14,15)16)8-18-11-5-3-2-4-10(11)13/h2-5,9,17H,6-8H2,1H3
InChIKeyGXFJXJDJPHXQJN-UHFFFAOYSA-N
MW297.77 g/mol
LogP4.36
Rot. Bonds6

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

1-(2-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine (PubChem CID 66140167) has the molecular formula C12H15ClF3NS and a molecular weight of 297.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine
PubChem CID66140167
Molecular FormulaC12H15ClF3NS
Molecular Weight297.77 g/mol
Exact Mass297.06
IUPAC Name1-(2-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine
SMILESCNC(CCC(F)(F)F)CSc1ccccc1Cl
InChIInChI=1S/C12H15ClF3NS/c1-17-9(6-7-12(14,15)16)8-18-11-5-3-2-4-10(11)13/h2-5,9,17H,6-8H2,1H3
InChIKeyGXFJXJDJPHXQJN-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 103048819
1-(2-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine
CID 66140357
5,5,5-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylpentan-2-amine
CID 66072695
1-(2-chlorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 66139977
[1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-yl]hydrazine
CID 103026842
[1-(2-chlorophenyl)sulfanyl-6-methylheptan-2-yl]hydrazine
CID 105237772
1-(3-bromo-5-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 79700055
1-(2-chlorophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)-N-methylpropan-2-amine
CID 66139956
5,5,5-trifluoro-N-methyl-1-propan-2-ylsulfanylpentan-2-amine
CID 65131713
1-(2-chlorophenyl)sulfanyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79761997
1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-amine
CID 66139564
1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-ol
CID 114212099

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine (CID 66140167) is 1-(2-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine is CNC(CCC(F)(F)F)CSc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine?
The InChIKey is GXFJXJDJPHXQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3NS/c1-17-9(6-7-12(14,15)16)8-18-11-5-3-2-4-10(11)13/h2-5,9,17H,6-8H2,1H3.
What are the key properties of 1-(2-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine?
1-(2-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine has a molecular weight of 297.77 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine is sourced from PubChem (CID 66140167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).