6,6,6-trifluoro-1-(thian-4-yl)hexan-2-amine

C11H20F3NS — CID 105174339

IUPAC6,6,6-trifluoro-1-(thian-4-yl)hexan-2-amine
SMILESNC(CCCC(F)(F)F)CC1CCSCC1
InChIInChI=1S/C11H20F3NS/c12-11(13,14)5-1-2-10(15)8-9-3-6-16-7-4-9/h9-10H,1-8,15H2
InChIKeyADORIWWUEPXKOB-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.58
Rot. Bonds5

About 6,6,6-trifluoro-1-(thian-4-yl)hexan-2-amine

6,6,6-trifluoro-1-(thian-4-yl)hexan-2-amine (PubChem CID 105174339) has the molecular formula C11H20F3NS and a molecular weight of 255.35 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-(thian-4-yl)hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-1-(thian-4-yl)hexan-2-amine
PubChem CID105174339
Molecular FormulaC11H20F3NS
Molecular Weight255.35 g/mol
Exact Mass255.13
IUPAC Name6,6,6-trifluoro-1-(thian-4-yl)hexan-2-amine
SMILESNC(CCCC(F)(F)F)CC1CCSCC1
InChIInChI=1S/C11H20F3NS/c12-11(13,14)5-1-2-10(15)8-9-3-6-16-7-4-9/h9-10H,1-8,15H2
InChIKeyADORIWWUEPXKOB-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-1-(thian-4-yl)hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-1-(thian-4-yl)hexan-2-amine (CID 105174339) is 6,6,6-trifluoro-1-(thian-4-yl)hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-1-(thian-4-yl)hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-1-(thian-4-yl)hexan-2-amine is NC(CCCC(F)(F)F)CC1CCSCC1.
What is the InChIKey of 6,6,6-trifluoro-1-(thian-4-yl)hexan-2-amine?
The InChIKey is ADORIWWUEPXKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NS/c12-11(13,14)5-1-2-10(15)8-9-3-6-16-7-4-9/h9-10H,1-8,15H2.
What are the key properties of 6,6,6-trifluoro-1-(thian-4-yl)hexan-2-amine?
6,6,6-trifluoro-1-(thian-4-yl)hexan-2-amine has a molecular weight of 255.35 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 6,6,6-trifluoro-1-(thian-4-yl)hexan-2-amine is sourced from PubChem (CID 105174339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).