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

C11H13F3O2S — CID 112745720

IUPAC(3-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol
SMILESCC1CCOC1C(O)c1cscc1C(F)(F)F
InChIInChI=1S/C11H13F3O2S/c1-6-2-3-16-10(6)9(15)7-4-17-5-8(7)11(12,13)14/h4-6,9-10,15H,2-3H2,1H3
InChIKeyFTUATFOWLKLJIO-UHFFFAOYSA-N
MW266.28 g/mol
LogP3.23
Rot. Bonds2

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

(3-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol (PubChem CID 112745720) has the molecular formula C11H13F3O2S and a molecular weight of 266.28 g/mol. Its IUPAC name is (3-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol.

Molecular Properties

Compound Name(3-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol
PubChem CID112745720
Molecular FormulaC11H13F3O2S
Molecular Weight266.28 g/mol
Exact Mass266.06
IUPAC Name(3-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol
SMILESCC1CCOC1C(O)c1cscc1C(F)(F)F
InChIInChI=1S/C11H13F3O2S/c1-6-2-3-16-10(6)9(15)7-4-17-5-8(7)11(12,13)14/h4-6,9-10,15H,2-3H2,1H3
InChIKeyFTUATFOWLKLJIO-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol?
The IUPAC name of (3-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol (CID 112745720) is (3-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol.
What is the SMILES notation for (3-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol?
The canonical SMILES for (3-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol is CC1CCOC1C(O)c1cscc1C(F)(F)F.
What is the InChIKey of (3-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol?
The InChIKey is FTUATFOWLKLJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2S/c1-6-2-3-16-10(6)9(15)7-4-17-5-8(7)11(12,13)14/h4-6,9-10,15H,2-3H2,1H3.
What are the key properties of (3-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol?
(3-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol has a molecular weight of 266.28 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol is sourced from PubChem (CID 112745720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).