6,6,6-trifluoro-2-methyl-1-thiophen-2-ylhexan-2-ol

C11H15F3OS — CID 116535790

IUPAC6,6,6-trifluoro-2-methyl-1-thiophen-2-ylhexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)Cc1cccs1
InChIInChI=1S/C11H15F3OS/c1-10(15,5-3-6-11(12,13)14)8-9-4-2-7-16-9/h2,4,7,15H,3,5-6,8H2,1H3
InChIKeyGFDMCIDDWKEXBA-UHFFFAOYSA-N
MW252.30 g/mol
LogP3.77
Rot. Bonds5

About 6,6,6-trifluoro-2-methyl-1-thiophen-2-ylhexan-2-ol

6,6,6-trifluoro-2-methyl-1-thiophen-2-ylhexan-2-ol (PubChem CID 116535790) has the molecular formula C11H15F3OS and a molecular weight of 252.30 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methyl-1-thiophen-2-ylhexan-2-ol.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methyl-1-thiophen-2-ylhexan-2-ol
PubChem CID116535790
Molecular FormulaC11H15F3OS
Molecular Weight252.30 g/mol
Exact Mass252.08
IUPAC Name6,6,6-trifluoro-2-methyl-1-thiophen-2-ylhexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)Cc1cccs1
InChIInChI=1S/C11H15F3OS/c1-10(15,5-3-6-11(12,13)14)8-9-4-2-7-16-9/h2,4,7,15H,3,5-6,8H2,1H3
InChIKeyGFDMCIDDWKEXBA-UHFFFAOYSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 53.77
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-2-methyl-1-thiophen-2-ylhexan-2-ol?
The IUPAC name of 6,6,6-trifluoro-2-methyl-1-thiophen-2-ylhexan-2-ol (CID 116535790) is 6,6,6-trifluoro-2-methyl-1-thiophen-2-ylhexan-2-ol.
What is the SMILES notation for 6,6,6-trifluoro-2-methyl-1-thiophen-2-ylhexan-2-ol?
The canonical SMILES for 6,6,6-trifluoro-2-methyl-1-thiophen-2-ylhexan-2-ol is CC(O)(CCCC(F)(F)F)Cc1cccs1.
What is the InChIKey of 6,6,6-trifluoro-2-methyl-1-thiophen-2-ylhexan-2-ol?
The InChIKey is GFDMCIDDWKEXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3OS/c1-10(15,5-3-6-11(12,13)14)8-9-4-2-7-16-9/h2,4,7,15H,3,5-6,8H2,1H3.
What are the key properties of 6,6,6-trifluoro-2-methyl-1-thiophen-2-ylhexan-2-ol?
6,6,6-trifluoro-2-methyl-1-thiophen-2-ylhexan-2-ol has a molecular weight of 252.30 g/mol, XLogP of 3.77, 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-2-methyl-1-thiophen-2-ylhexan-2-ol is sourced from PubChem (CID 116535790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).