1-butan-2-ylsulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine

C13H26F3NS — CID 115516904

IUPAC1-butan-2-ylsulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine
SMILESCCCNC(CCCC(F)(F)F)CSC(C)CC
InChIInChI=1S/C13H26F3NS/c1-4-9-17-12(10-18-11(3)5-2)7-6-8-13(14,15)16/h11-12,17H,4-10H2,1-3H3
InChIKeyYSJUDYQCXJLATB-UHFFFAOYSA-N
MW285.42 g/mol
LogP4.62
Rot. Bonds10

About 1-butan-2-ylsulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine

1-butan-2-ylsulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine (PubChem CID 115516904) has the molecular formula C13H26F3NS and a molecular weight of 285.42 g/mol. Its IUPAC name is 1-butan-2-ylsulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-butan-2-ylsulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine
PubChem CID115516904
Molecular FormulaC13H26F3NS
Molecular Weight285.42 g/mol
Exact Mass285.17
IUPAC Name1-butan-2-ylsulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine
SMILESCCCNC(CCCC(F)(F)F)CSC(C)CC
InChIInChI=1S/C13H26F3NS/c1-4-9-17-12(10-18-11(3)5-2)7-6-8-13(14,15)16/h11-12,17H,4-10H2,1-3H3
InChIKeyYSJUDYQCXJLATB-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine
CID 115516392
1-butan-2-ylsulfanyl-6,6,6-trifluorohexan-2-amine
CID 115516900
6,6,6-trifluoro-1-propan-2-yloxy-N-propylhexan-2-amine
CID 105174504
1,1,1-trifluoro-N-propyldodecan-4-amine
CID 79964145
1-ethylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine
CID 65128350
1-butan-2-ylsulfanyl-5,5,5-trifluoropentan-2-ol
CID 65136348
6-ethyl-1,1,1-trifluoro-N-propyldecan-4-amine
CID 79964664
1-(3-chlorophenyl)sulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine
CID 115517124
5,5-dimethyl-1-propan-2-ylsulfanyl-N-propylhexan-2-amine
CID 65131446
1-(2-methylpropylsulfanyl)-N-propylhexan-2-amine
CID 65135368
6,6,6-trifluoro-1-(oxolan-3-yl)-N-propylhexan-2-amine
CID 103987551
1-(2,4-difluorophenyl)-6,6,6-trifluoro-N-propylhexan-2-amine
CID 115516838

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylsulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine?
The IUPAC name of 1-butan-2-ylsulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine (CID 115516904) is 1-butan-2-ylsulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine.
What is the SMILES notation for 1-butan-2-ylsulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine?
The canonical SMILES for 1-butan-2-ylsulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine is CCCNC(CCCC(F)(F)F)CSC(C)CC.
What is the InChIKey of 1-butan-2-ylsulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine?
The InChIKey is YSJUDYQCXJLATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NS/c1-4-9-17-12(10-18-11(3)5-2)7-6-8-13(14,15)16/h11-12,17H,4-10H2,1-3H3.
What are the key properties of 1-butan-2-ylsulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine?
1-butan-2-ylsulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine has a molecular weight of 285.42 g/mol, XLogP of 4.62, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylsulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine is sourced from PubChem (CID 115516904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).