1-tert-butylsulfanyl-6,6,6-trifluorohexan-2-amine

C10H20F3NS — CID 115516888

IUPAC1-tert-butylsulfanyl-6,6,6-trifluorohexan-2-amine
SMILESCC(C)(C)SCC(N)CCCC(F)(F)F
InChIInChI=1S/C10H20F3NS/c1-9(2,3)15-7-8(14)5-4-6-10(11,12)13/h8H,4-7,14H2,1-3H3
InChIKeyTWZLVGAYXTZDHF-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.58
Rot. Bonds5

About 1-tert-butylsulfanyl-6,6,6-trifluorohexan-2-amine

1-tert-butylsulfanyl-6,6,6-trifluorohexan-2-amine (PubChem CID 115516888) has the molecular formula C10H20F3NS and a molecular weight of 243.34 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-6,6,6-trifluorohexan-2-amine.

Molecular Properties

Compound Name1-tert-butylsulfanyl-6,6,6-trifluorohexan-2-amine
PubChem CID115516888
Molecular FormulaC10H20F3NS
Molecular Weight243.34 g/mol
Exact Mass243.13
IUPAC Name1-tert-butylsulfanyl-6,6,6-trifluorohexan-2-amine
SMILESCC(C)(C)SCC(N)CCCC(F)(F)F
InChIInChI=1S/C10H20F3NS/c1-9(2,3)15-7-8(14)5-4-6-10(11,12)13/h8H,4-7,14H2,1-3H3
InChIKeyTWZLVGAYXTZDHF-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-6,6,6-trifluorohexan-2-amine?
The IUPAC name of 1-tert-butylsulfanyl-6,6,6-trifluorohexan-2-amine (CID 115516888) is 1-tert-butylsulfanyl-6,6,6-trifluorohexan-2-amine.
What is the SMILES notation for 1-tert-butylsulfanyl-6,6,6-trifluorohexan-2-amine?
The canonical SMILES for 1-tert-butylsulfanyl-6,6,6-trifluorohexan-2-amine is CC(C)(C)SCC(N)CCCC(F)(F)F.
What is the InChIKey of 1-tert-butylsulfanyl-6,6,6-trifluorohexan-2-amine?
The InChIKey is TWZLVGAYXTZDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NS/c1-9(2,3)15-7-8(14)5-4-6-10(11,12)13/h8H,4-7,14H2,1-3H3.
What are the key properties of 1-tert-butylsulfanyl-6,6,6-trifluorohexan-2-amine?
1-tert-butylsulfanyl-6,6,6-trifluorohexan-2-amine has a molecular weight of 243.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-6,6,6-trifluorohexan-2-amine is sourced from PubChem (CID 115516888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).