3-[(2,6-difluorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol

C15H20F2O2 — CID 114931082

IUPAC3-[(2,6-difluorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCC1(C)CC(O)(Cc2c(F)cccc2F)C(C)(C)O1
InChIInChI=1S/C15H20F2O2/c1-13(2)9-15(18,14(3,4)19-13)8-10-11(16)6-5-7-12(10)17/h5-7,18H,8-9H2,1-4H3
InChIKeyFDUCHAYWRQANSN-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.22
Rot. Bonds2

About 3-[(2,6-difluorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol

3-[(2,6-difluorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol (PubChem CID 114931082) has the molecular formula C15H20F2O2 and a molecular weight of 270.32 g/mol. Its IUPAC name is 3-[(2,6-difluorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol.

Molecular Properties

Compound Name3-[(2,6-difluorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
PubChem CID114931082
Molecular FormulaC15H20F2O2
Molecular Weight270.32 g/mol
Exact Mass270.14
IUPAC Name3-[(2,6-difluorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCC1(C)CC(O)(Cc2c(F)cccc2F)C(C)(C)O1
InChIInChI=1S/C15H20F2O2/c1-13(2)9-15(18,14(3,4)19-13)8-10-11(16)6-5-7-12(10)17/h5-7,18H,8-9H2,1-4H3
InChIKeyFDUCHAYWRQANSN-UHFFFAOYSA-N
XLogP3.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The IUPAC name of 3-[(2,6-difluorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol (CID 114931082) is 3-[(2,6-difluorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol.
What is the SMILES notation for 3-[(2,6-difluorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The canonical SMILES for 3-[(2,6-difluorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol is CC1(C)CC(O)(Cc2c(F)cccc2F)C(C)(C)O1.
What is the InChIKey of 3-[(2,6-difluorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The InChIKey is FDUCHAYWRQANSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O2/c1-13(2)9-15(18,14(3,4)19-13)8-10-11(16)6-5-7-12(10)17/h5-7,18H,8-9H2,1-4H3.
What are the key properties of 3-[(2,6-difluorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol?
3-[(2,6-difluorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol has a molecular weight of 270.32 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-difluorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol is sourced from PubChem (CID 114931082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).