11-benzyl-9-fluoro-4,4-dimethyl-3,5-dioxa-7,11-diazatricyclo[6.3.0.02,6]undecane

C16H21FN2O2 — CID 69499689

IUPAC11-benzyl-9-fluoro-4,4-dimethyl-3,5-dioxa-7,11-diazatricyclo[6.3.0.02,6]undecane
SMILESCC1(C)OC2NC3C(F)CN(Cc4ccccc4)C3C2O1
InChIInChI=1S/C16H21FN2O2/c1-16(2)20-14-13-12(18-15(14)21-16)11(17)9-19(13)8-10-6-4-3-5-7-10/h3-7,11-15,18H,8-9H2,1-2H3
InChIKeyUOBSOCCKALMNQW-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.66
Rot. Bonds2

About 11-benzyl-9-fluoro-4,4-dimethyl-3,5-dioxa-7,11-diazatricyclo[6.3.0.02,6]undecane

11-benzyl-9-fluoro-4,4-dimethyl-3,5-dioxa-7,11-diazatricyclo[6.3.0.02,6]undecane (PubChem CID 69499689) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 11-benzyl-9-fluoro-4,4-dimethyl-3,5-dioxa-7,11-diazatricyclo[6.3.0.02,6]undecane.

Molecular Properties

Compound Name11-benzyl-9-fluoro-4,4-dimethyl-3,5-dioxa-7,11-diazatricyclo[6.3.0.02,6]undecane
PubChem CID69499689
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name11-benzyl-9-fluoro-4,4-dimethyl-3,5-dioxa-7,11-diazatricyclo[6.3.0.02,6]undecane
SMILESCC1(C)OC2NC3C(F)CN(Cc4ccccc4)C3C2O1
InChIInChI=1S/C16H21FN2O2/c1-16(2)20-14-13-12(18-15(14)21-16)11(17)9-19(13)8-10-6-4-3-5-7-10/h3-7,11-15,18H,8-9H2,1-2H3
InChIKeyUOBSOCCKALMNQW-UHFFFAOYSA-N
XLogP1.66
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 11-benzyl-9-fluoro-4,4-dimethyl-3,5-dioxa-7,11-diazatricyclo[6.3.0.02,6]undecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-benzyl-9-fluoro-4,4-dimethyl-3,5-dioxa-7,11-diazatricyclo[6.3.0.02,6]undecane?
The IUPAC name of 11-benzyl-9-fluoro-4,4-dimethyl-3,5-dioxa-7,11-diazatricyclo[6.3.0.02,6]undecane (CID 69499689) is 11-benzyl-9-fluoro-4,4-dimethyl-3,5-dioxa-7,11-diazatricyclo[6.3.0.02,6]undecane.
What is the SMILES notation for 11-benzyl-9-fluoro-4,4-dimethyl-3,5-dioxa-7,11-diazatricyclo[6.3.0.02,6]undecane?
The canonical SMILES for 11-benzyl-9-fluoro-4,4-dimethyl-3,5-dioxa-7,11-diazatricyclo[6.3.0.02,6]undecane is CC1(C)OC2NC3C(F)CN(Cc4ccccc4)C3C2O1.
What is the InChIKey of 11-benzyl-9-fluoro-4,4-dimethyl-3,5-dioxa-7,11-diazatricyclo[6.3.0.02,6]undecane?
The InChIKey is UOBSOCCKALMNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-16(2)20-14-13-12(18-15(14)21-16)11(17)9-19(13)8-10-6-4-3-5-7-10/h3-7,11-15,18H,8-9H2,1-2H3.
What are the key properties of 11-benzyl-9-fluoro-4,4-dimethyl-3,5-dioxa-7,11-diazatricyclo[6.3.0.02,6]undecane?
11-benzyl-9-fluoro-4,4-dimethyl-3,5-dioxa-7,11-diazatricyclo[6.3.0.02,6]undecane has a molecular weight of 292.35 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-benzyl-9-fluoro-4,4-dimethyl-3,5-dioxa-7,11-diazatricyclo[6.3.0.02,6]undecane is sourced from PubChem (CID 69499689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).