oxan-2-yl-[4-(trifluoromethyl)thiophen-3-yl]methanol

C11H13F3O2S — CID 112745723

IUPACoxan-2-yl-[4-(trifluoromethyl)thiophen-3-yl]methanol
SMILESOC(c1cscc1C(F)(F)F)C1CCCCO1
InChIInChI=1S/C11H13F3O2S/c12-11(13,14)8-6-17-5-7(8)10(15)9-3-1-2-4-16-9/h5-6,9-10,15H,1-4H2
InChIKeyOAOZAOIPRDOSBY-UHFFFAOYSA-N
MW266.28 g/mol
LogP3.37
Rot. Bonds2

About oxan-2-yl-[4-(trifluoromethyl)thiophen-3-yl]methanol

oxan-2-yl-[4-(trifluoromethyl)thiophen-3-yl]methanol (PubChem CID 112745723) has the molecular formula C11H13F3O2S and a molecular weight of 266.28 g/mol. Its IUPAC name is oxan-2-yl-[4-(trifluoromethyl)thiophen-3-yl]methanol.

Molecular Properties

Compound Nameoxan-2-yl-[4-(trifluoromethyl)thiophen-3-yl]methanol
PubChem CID112745723
Molecular FormulaC11H13F3O2S
Molecular Weight266.28 g/mol
Exact Mass266.06
IUPAC Nameoxan-2-yl-[4-(trifluoromethyl)thiophen-3-yl]methanol
SMILESOC(c1cscc1C(F)(F)F)C1CCCCO1
InChIInChI=1S/C11H13F3O2S/c12-11(13,14)8-6-17-5-7(8)10(15)9-3-1-2-4-16-9/h5-6,9-10,15H,1-4H2
InChIKeyOAOZAOIPRDOSBY-UHFFFAOYSA-N
XLogP3.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxan-2-yl-[4-(trifluoromethyl)thiophen-3-yl]methanol?
The IUPAC name of oxan-2-yl-[4-(trifluoromethyl)thiophen-3-yl]methanol (CID 112745723) is oxan-2-yl-[4-(trifluoromethyl)thiophen-3-yl]methanol.
What is the SMILES notation for oxan-2-yl-[4-(trifluoromethyl)thiophen-3-yl]methanol?
The canonical SMILES for oxan-2-yl-[4-(trifluoromethyl)thiophen-3-yl]methanol is OC(c1cscc1C(F)(F)F)C1CCCCO1.
What is the InChIKey of oxan-2-yl-[4-(trifluoromethyl)thiophen-3-yl]methanol?
The InChIKey is OAOZAOIPRDOSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2S/c12-11(13,14)8-6-17-5-7(8)10(15)9-3-1-2-4-16-9/h5-6,9-10,15H,1-4H2.
What are the key properties of oxan-2-yl-[4-(trifluoromethyl)thiophen-3-yl]methanol?
oxan-2-yl-[4-(trifluoromethyl)thiophen-3-yl]methanol has a molecular weight of 266.28 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl-[4-(trifluoromethyl)thiophen-3-yl]methanol is sourced from PubChem (CID 112745723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).