1-(4-chlorophenyl)sulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine

C13H17ClF3NS — CID 66144374

IUPAC1-(4-chlorophenyl)sulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine
SMILESCCNC(CCC(F)(F)F)CSc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClF3NS/c1-2-18-11(7-8-13(15,16)17)9-19-12-5-3-10(14)4-6-12/h3-6,11,18H,2,7-9H2,1H3
InChIKeyLONAXSGGWJAIMB-UHFFFAOYSA-N
MW311.80 g/mol
LogP4.75
Rot. Bonds7

About 1-(4-chlorophenyl)sulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine

1-(4-chlorophenyl)sulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine (PubChem CID 66144374) has the molecular formula C13H17ClF3NS and a molecular weight of 311.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine
PubChem CID66144374
Molecular FormulaC13H17ClF3NS
Molecular Weight311.80 g/mol
Exact Mass311.07
IUPAC Name1-(4-chlorophenyl)sulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine
SMILESCCNC(CCC(F)(F)F)CSc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClF3NS/c1-2-18-11(7-8-13(15,16)17)9-19-12-5-3-10(14)4-6-12/h3-6,11,18H,2,7-9H2,1H3
InChIKeyLONAXSGGWJAIMB-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.80
LogP ≤ 54.75
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-N-ethyl-5,5,5-trifluoropentan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)sulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine (CID 66144374) is 1-(4-chlorophenyl)sulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)sulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine is CCNC(CCC(F)(F)F)CSc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine?
The InChIKey is LONAXSGGWJAIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3NS/c1-2-18-11(7-8-13(15,16)17)9-19-12-5-3-10(14)4-6-12/h3-6,11,18H,2,7-9H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine?
1-(4-chlorophenyl)sulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine has a molecular weight of 311.80 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine is sourced from PubChem (CID 66144374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).