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

C14H26F3NS — CID 105174294

IUPAC6,6,6-trifluoro-N-propyl-1-(thian-4-yl)hexan-2-amine
SMILESCCCNC(CCCC(F)(F)F)CC1CCSCC1
InChIInChI=1S/C14H26F3NS/c1-2-8-18-13(4-3-7-14(15,16)17)11-12-5-9-19-10-6-12/h12-13,18H,2-11H2,1H3
InChIKeyJFUSLFPECDMFAW-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.62
Rot. Bonds8

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

6,6,6-trifluoro-N-propyl-1-(thian-4-yl)hexan-2-amine (PubChem CID 105174294) has the molecular formula C14H26F3NS and a molecular weight of 297.43 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-propyl-1-(thian-4-yl)hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-propyl-1-(thian-4-yl)hexan-2-amine
PubChem CID105174294
Molecular FormulaC14H26F3NS
Molecular Weight297.43 g/mol
Exact Mass297.17
IUPAC Name6,6,6-trifluoro-N-propyl-1-(thian-4-yl)hexan-2-amine
SMILESCCCNC(CCCC(F)(F)F)CC1CCSCC1
InChIInChI=1S/C14H26F3NS/c1-2-8-18-13(4-3-7-14(15,16)17)11-12-5-9-19-10-6-12/h12-13,18H,2-11H2,1H3
InChIKeyJFUSLFPECDMFAW-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.62
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-N-propyl-1-(thian-4-yl)hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-propyl-1-(thian-4-yl)hexan-2-amine (CID 105174294) is 6,6,6-trifluoro-N-propyl-1-(thian-4-yl)hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-propyl-1-(thian-4-yl)hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-propyl-1-(thian-4-yl)hexan-2-amine is CCCNC(CCCC(F)(F)F)CC1CCSCC1.
What is the InChIKey of 6,6,6-trifluoro-N-propyl-1-(thian-4-yl)hexan-2-amine?
The InChIKey is JFUSLFPECDMFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NS/c1-2-8-18-13(4-3-7-14(15,16)17)11-12-5-9-19-10-6-12/h12-13,18H,2-11H2,1H3.
What are the key properties of 6,6,6-trifluoro-N-propyl-1-(thian-4-yl)hexan-2-amine?
6,6,6-trifluoro-N-propyl-1-(thian-4-yl)hexan-2-amine has a molecular weight of 297.43 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N-propyl-1-(thian-4-yl)hexan-2-amine is sourced from PubChem (CID 105174294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).