2-(3-chlorothiophen-2-yl)-6,6,6-trifluorohexan-2-ol

C10H12ClF3OS — CID 107359199

IUPAC2-(3-chlorothiophen-2-yl)-6,6,6-trifluorohexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)c1sccc1Cl
InChIInChI=1S/C10H12ClF3OS/c1-9(15,4-2-5-10(12,13)14)8-7(11)3-6-16-8/h3,6,15H,2,4-5H2,1H3
InChIKeyZUCABSMHNZHOIW-UHFFFAOYSA-N
MW272.72 g/mol
LogP4.34
Rot. Bonds4

About 2-(3-chlorothiophen-2-yl)-6,6,6-trifluorohexan-2-ol

2-(3-chlorothiophen-2-yl)-6,6,6-trifluorohexan-2-ol (PubChem CID 107359199) has the molecular formula C10H12ClF3OS and a molecular weight of 272.72 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-6,6,6-trifluorohexan-2-ol.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-6,6,6-trifluorohexan-2-ol
PubChem CID107359199
Molecular FormulaC10H12ClF3OS
Molecular Weight272.72 g/mol
Exact Mass272.02
IUPAC Name2-(3-chlorothiophen-2-yl)-6,6,6-trifluorohexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)c1sccc1Cl
InChIInChI=1S/C10H12ClF3OS/c1-9(15,4-2-5-10(12,13)14)8-7(11)3-6-16-8/h3,6,15H,2,4-5H2,1H3
InChIKeyZUCABSMHNZHOIW-UHFFFAOYSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.72
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-6,6,6-trifluorohexan-2-ol?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-6,6,6-trifluorohexan-2-ol (CID 107359199) is 2-(3-chlorothiophen-2-yl)-6,6,6-trifluorohexan-2-ol.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-6,6,6-trifluorohexan-2-ol?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-6,6,6-trifluorohexan-2-ol is CC(O)(CCCC(F)(F)F)c1sccc1Cl.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-6,6,6-trifluorohexan-2-ol?
The InChIKey is ZUCABSMHNZHOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3OS/c1-9(15,4-2-5-10(12,13)14)8-7(11)3-6-16-8/h3,6,15H,2,4-5H2,1H3.
What are the key properties of 2-(3-chlorothiophen-2-yl)-6,6,6-trifluorohexan-2-ol?
2-(3-chlorothiophen-2-yl)-6,6,6-trifluorohexan-2-ol has a molecular weight of 272.72 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)-6,6,6-trifluorohexan-2-ol is sourced from PubChem (CID 107359199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).