3-[(2,5-difluorophenyl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol

C14H16F2O2 — CID 171961687

IUPAC3-[(2,5-difluorophenyl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol
SMILESOC1(Cc2cc(F)ccc2F)CC2CCC(C1)O2
InChIInChI=1S/C14H16F2O2/c15-10-1-4-13(16)9(5-10)6-14(17)7-11-2-3-12(8-14)18-11/h1,4-5,11-12,17H,2-3,6-8H2
InChIKeyCXILNPWZQBYIRV-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.58
Rot. Bonds2

About 3-[(2,5-difluorophenyl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol

3-[(2,5-difluorophenyl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol (PubChem CID 171961687) has the molecular formula C14H16F2O2 and a molecular weight of 254.28 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol
PubChem CID171961687
Molecular FormulaC14H16F2O2
Molecular Weight254.28 g/mol
Exact Mass254.11
IUPAC Name3-[(2,5-difluorophenyl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol
SMILESOC1(Cc2cc(F)ccc2F)CC2CCC(C1)O2
InChIInChI=1S/C14H16F2O2/c15-10-1-4-13(16)9(5-10)6-14(17)7-11-2-3-12(8-14)18-11/h1,4-5,11-12,17H,2-3,6-8H2
InChIKeyCXILNPWZQBYIRV-UHFFFAOYSA-N
XLogP2.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-[(2,5-difluorophenyl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol (CID 171961687) is 3-[(2,5-difluorophenyl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-[(2,5-difluorophenyl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-[(2,5-difluorophenyl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol is OC1(Cc2cc(F)ccc2F)CC2CCC(C1)O2.
What is the InChIKey of 3-[(2,5-difluorophenyl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol?
The InChIKey is CXILNPWZQBYIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O2/c15-10-1-4-13(16)9(5-10)6-14(17)7-11-2-3-12(8-14)18-11/h1,4-5,11-12,17H,2-3,6-8H2.
What are the key properties of 3-[(2,5-difluorophenyl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol?
3-[(2,5-difluorophenyl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol has a molecular weight of 254.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171961687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).