1-(4-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine

C14H19ClF3NS — CID 66143215

IUPAC1-(4-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)CSc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClF3NS/c1-2-9-19-12(7-8-14(16,17)18)10-20-13-5-3-11(15)4-6-13/h3-6,12,19H,2,7-10H2,1H3
InChIKeyBCNKJTYIXVHKDX-UHFFFAOYSA-N
MW325.83 g/mol
LogP5.14
Rot. Bonds8

About 1-(4-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine

1-(4-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine (PubChem CID 66143215) has the molecular formula C14H19ClF3NS and a molecular weight of 325.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine
PubChem CID66143215
Molecular FormulaC14H19ClF3NS
Molecular Weight325.83 g/mol
Exact Mass325.09
IUPAC Name1-(4-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)CSc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClF3NS/c1-2-9-19-12(7-8-14(16,17)18)10-20-13-5-3-11(15)4-6-13/h3-6,12,19H,2,7-10H2,1H3
InChIKeyBCNKJTYIXVHKDX-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.83
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine (CID 66143215) is 1-(4-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine is CCCNC(CCC(F)(F)F)CSc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine?
The InChIKey is BCNKJTYIXVHKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3NS/c1-2-9-19-12(7-8-14(16,17)18)10-20-13-5-3-11(15)4-6-13/h3-6,12,19H,2,7-10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine?
1-(4-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine has a molecular weight of 325.83 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine is sourced from PubChem (CID 66143215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).