6,6,6-trifluoro-2-thiophen-3-ylhexan-2-ol

C10H13F3OS — CID 116535888

IUPAC6,6,6-trifluoro-2-thiophen-3-ylhexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)c1ccsc1
InChIInChI=1S/C10H13F3OS/c1-9(14,8-3-6-15-7-8)4-2-5-10(11,12)13/h3,6-7,14H,2,4-5H2,1H3
InChIKeyZFWCXXPUSOAMFO-UHFFFAOYSA-N
MW238.27 g/mol
LogP3.69
Rot. Bonds4

About 6,6,6-trifluoro-2-thiophen-3-ylhexan-2-ol

6,6,6-trifluoro-2-thiophen-3-ylhexan-2-ol (PubChem CID 116535888) has the molecular formula C10H13F3OS and a molecular weight of 238.27 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-thiophen-3-ylhexan-2-ol.

Molecular Properties

Compound Name6,6,6-trifluoro-2-thiophen-3-ylhexan-2-ol
PubChem CID116535888
Molecular FormulaC10H13F3OS
Molecular Weight238.27 g/mol
Exact Mass238.06
IUPAC Name6,6,6-trifluoro-2-thiophen-3-ylhexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)c1ccsc1
InChIInChI=1S/C10H13F3OS/c1-9(14,8-3-6-15-7-8)4-2-5-10(11,12)13/h3,6-7,14H,2,4-5H2,1H3
InChIKeyZFWCXXPUSOAMFO-UHFFFAOYSA-N
XLogP3.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 53.69
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-thiophen-3-ylhexan-2-ol?
The IUPAC name of 6,6,6-trifluoro-2-thiophen-3-ylhexan-2-ol (CID 116535888) is 6,6,6-trifluoro-2-thiophen-3-ylhexan-2-ol.
What is the SMILES notation for 6,6,6-trifluoro-2-thiophen-3-ylhexan-2-ol?
The canonical SMILES for 6,6,6-trifluoro-2-thiophen-3-ylhexan-2-ol is CC(O)(CCCC(F)(F)F)c1ccsc1.
What is the InChIKey of 6,6,6-trifluoro-2-thiophen-3-ylhexan-2-ol?
The InChIKey is ZFWCXXPUSOAMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3OS/c1-9(14,8-3-6-15-7-8)4-2-5-10(11,12)13/h3,6-7,14H,2,4-5H2,1H3.
What are the key properties of 6,6,6-trifluoro-2-thiophen-3-ylhexan-2-ol?
6,6,6-trifluoro-2-thiophen-3-ylhexan-2-ol has a molecular weight of 238.27 g/mol, XLogP of 3.69, 4 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-thiophen-3-ylhexan-2-ol is sourced from PubChem (CID 116535888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).