(2-methyloxolan-3-yl)-(2,4,6-trifluorophenyl)methanol

C12H13F3O2 — CID 79763149

IUPAC(2-methyloxolan-3-yl)-(2,4,6-trifluorophenyl)methanol
SMILESCC1OCCC1C(O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H13F3O2/c1-6-8(2-3-17-6)12(16)11-9(14)4-7(13)5-10(11)15/h4-6,8,12,16H,2-3H2,1H3
InChIKeyLIEKHPXNRQJJLO-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.56
Rot. Bonds2

About (2-methyloxolan-3-yl)-(2,4,6-trifluorophenyl)methanol

(2-methyloxolan-3-yl)-(2,4,6-trifluorophenyl)methanol (PubChem CID 79763149) has the molecular formula C12H13F3O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is (2-methyloxolan-3-yl)-(2,4,6-trifluorophenyl)methanol.

Molecular Properties

Compound Name(2-methyloxolan-3-yl)-(2,4,6-trifluorophenyl)methanol
PubChem CID79763149
Molecular FormulaC12H13F3O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name(2-methyloxolan-3-yl)-(2,4,6-trifluorophenyl)methanol
SMILESCC1OCCC1C(O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H13F3O2/c1-6-8(2-3-17-6)12(16)11-9(14)4-7(13)5-10(11)15/h4-6,8,12,16H,2-3H2,1H3
InChIKeyLIEKHPXNRQJJLO-UHFFFAOYSA-N
XLogP2.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-3-yl)-(2,4,6-trifluorophenyl)methanol?
The IUPAC name of (2-methyloxolan-3-yl)-(2,4,6-trifluorophenyl)methanol (CID 79763149) is (2-methyloxolan-3-yl)-(2,4,6-trifluorophenyl)methanol.
What is the SMILES notation for (2-methyloxolan-3-yl)-(2,4,6-trifluorophenyl)methanol?
The canonical SMILES for (2-methyloxolan-3-yl)-(2,4,6-trifluorophenyl)methanol is CC1OCCC1C(O)c1c(F)cc(F)cc1F.
What is the InChIKey of (2-methyloxolan-3-yl)-(2,4,6-trifluorophenyl)methanol?
The InChIKey is LIEKHPXNRQJJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O2/c1-6-8(2-3-17-6)12(16)11-9(14)4-7(13)5-10(11)15/h4-6,8,12,16H,2-3H2,1H3.
What are the key properties of (2-methyloxolan-3-yl)-(2,4,6-trifluorophenyl)methanol?
(2-methyloxolan-3-yl)-(2,4,6-trifluorophenyl)methanol has a molecular weight of 246.23 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-3-yl)-(2,4,6-trifluorophenyl)methanol is sourced from PubChem (CID 79763149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).