5-(4-fluorophenyl)-9,9-dimethyl-3-azaspiro[5.6]dodecane

C19H28FN — CID 79432872

IUPAC5-(4-fluorophenyl)-9,9-dimethyl-3-azaspiro[5.6]dodecane
SMILESCC1(C)CCCC2(CCNCC2c2ccc(F)cc2)CC1
InChIInChI=1S/C19H28FN/c1-18(2)8-3-9-19(11-10-18)12-13-21-14-17(19)15-4-6-16(20)7-5-15/h4-7,17,21H,3,8-14H2,1-2H3
InChIKeyONCCQGSLKRXWSG-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.88
Rot. Bonds1

About 5-(4-fluorophenyl)-9,9-dimethyl-3-azaspiro[5.6]dodecane

5-(4-fluorophenyl)-9,9-dimethyl-3-azaspiro[5.6]dodecane (PubChem CID 79432872) has the molecular formula C19H28FN and a molecular weight of 289.44 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-9,9-dimethyl-3-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name5-(4-fluorophenyl)-9,9-dimethyl-3-azaspiro[5.6]dodecane
PubChem CID79432872
Molecular FormulaC19H28FN
Molecular Weight289.44 g/mol
Exact Mass289.22
IUPAC Name5-(4-fluorophenyl)-9,9-dimethyl-3-azaspiro[5.6]dodecane
SMILESCC1(C)CCCC2(CCNCC2c2ccc(F)cc2)CC1
InChIInChI=1S/C19H28FN/c1-18(2)8-3-9-19(11-10-18)12-13-21-14-17(19)15-4-6-16(20)7-5-15/h4-7,17,21H,3,8-14H2,1-2H3
InChIKeyONCCQGSLKRXWSG-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-9,9-dimethyl-3-azaspiro[5.6]dodecane?
The IUPAC name of 5-(4-fluorophenyl)-9,9-dimethyl-3-azaspiro[5.6]dodecane (CID 79432872) is 5-(4-fluorophenyl)-9,9-dimethyl-3-azaspiro[5.6]dodecane.
What is the SMILES notation for 5-(4-fluorophenyl)-9,9-dimethyl-3-azaspiro[5.6]dodecane?
The canonical SMILES for 5-(4-fluorophenyl)-9,9-dimethyl-3-azaspiro[5.6]dodecane is CC1(C)CCCC2(CCNCC2c2ccc(F)cc2)CC1.
What is the InChIKey of 5-(4-fluorophenyl)-9,9-dimethyl-3-azaspiro[5.6]dodecane?
The InChIKey is ONCCQGSLKRXWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN/c1-18(2)8-3-9-19(11-10-18)12-13-21-14-17(19)15-4-6-16(20)7-5-15/h4-7,17,21H,3,8-14H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-9,9-dimethyl-3-azaspiro[5.6]dodecane?
5-(4-fluorophenyl)-9,9-dimethyl-3-azaspiro[5.6]dodecane has a molecular weight of 289.44 g/mol, XLogP of 4.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-9,9-dimethyl-3-azaspiro[5.6]dodecane is sourced from PubChem (CID 79432872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).