2-[(2,6-difluorophenyl)methoxy]-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane

C17H22F2O2 — CID 67937602

IUPAC2-[(2,6-difluorophenyl)methoxy]-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane
SMILESCC12CCCC(C)(O1)C(OCc1c(F)cccc1F)CC2
InChIInChI=1S/C17H22F2O2/c1-16-8-4-9-17(2,21-16)15(7-10-16)20-11-12-13(18)5-3-6-14(12)19/h3,5-6,15H,4,7-11H2,1-2H3
InChIKeyNUKAVLXCUINYGJ-UHFFFAOYSA-N
MW296.36 g/mol
LogP4.36
Rot. Bonds3

About 2-[(2,6-difluorophenyl)methoxy]-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane

2-[(2,6-difluorophenyl)methoxy]-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane (PubChem CID 67937602) has the molecular formula C17H22F2O2 and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methoxy]-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methoxy]-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane
PubChem CID67937602
Molecular FormulaC17H22F2O2
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Name2-[(2,6-difluorophenyl)methoxy]-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane
SMILESCC12CCCC(C)(O1)C(OCc1c(F)cccc1F)CC2
InChIInChI=1S/C17H22F2O2/c1-16-8-4-9-17(2,21-16)15(7-10-16)20-11-12-13(18)5-3-6-14(12)19/h3,5-6,15H,4,7-11H2,1-2H3
InChIKeyNUKAVLXCUINYGJ-UHFFFAOYSA-N
XLogP4.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methoxy]-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane?
The IUPAC name of 2-[(2,6-difluorophenyl)methoxy]-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane (CID 67937602) is 2-[(2,6-difluorophenyl)methoxy]-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methoxy]-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane?
The canonical SMILES for 2-[(2,6-difluorophenyl)methoxy]-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane is CC12CCCC(C)(O1)C(OCc1c(F)cccc1F)CC2.
What is the InChIKey of 2-[(2,6-difluorophenyl)methoxy]-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane?
The InChIKey is NUKAVLXCUINYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2O2/c1-16-8-4-9-17(2,21-16)15(7-10-16)20-11-12-13(18)5-3-6-14(12)19/h3,5-6,15H,4,7-11H2,1-2H3.
What are the key properties of 2-[(2,6-difluorophenyl)methoxy]-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane?
2-[(2,6-difluorophenyl)methoxy]-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane has a molecular weight of 296.36 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methoxy]-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane is sourced from PubChem (CID 67937602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).