6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexan-1-ol

C12H18F3NOS — CID 116536071

IUPAC6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexan-1-ol
SMILESCC(CO)(CCCC(F)(F)F)NCc1cccs1
InChIInChI=1S/C12H18F3NOS/c1-11(9-17,5-3-6-12(13,14)15)16-8-10-4-2-7-18-10/h2,4,7,16-17H,3,5-6,8-9H2,1H3
InChIKeyDGGQNSAPUKSREC-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.32
Rot. Bonds7

About 6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexan-1-ol

6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexan-1-ol (PubChem CID 116536071) has the molecular formula C12H18F3NOS and a molecular weight of 281.34 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexan-1-ol.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexan-1-ol
PubChem CID116536071
Molecular FormulaC12H18F3NOS
Molecular Weight281.34 g/mol
Exact Mass281.11
IUPAC Name6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexan-1-ol
SMILESCC(CO)(CCCC(F)(F)F)NCc1cccs1
InChIInChI=1S/C12H18F3NOS/c1-11(9-17,5-3-6-12(13,14)15)16-8-10-4-2-7-18-10/h2,4,7,16-17H,3,5-6,8-9H2,1H3
InChIKeyDGGQNSAPUKSREC-UHFFFAOYSA-N
XLogP3.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexan-1-ol?
The IUPAC name of 6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexan-1-ol (CID 116536071) is 6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexan-1-ol.
What is the SMILES notation for 6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexan-1-ol?
The canonical SMILES for 6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexan-1-ol is CC(CO)(CCCC(F)(F)F)NCc1cccs1.
What is the InChIKey of 6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexan-1-ol?
The InChIKey is DGGQNSAPUKSREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NOS/c1-11(9-17,5-3-6-12(13,14)15)16-8-10-4-2-7-18-10/h2,4,7,16-17H,3,5-6,8-9H2,1H3.
What are the key properties of 6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexan-1-ol?
6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexan-1-ol has a molecular weight of 281.34 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexan-1-ol is sourced from PubChem (CID 116536071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).