5-(2-fluorophenyl)-2-propan-2-yl-7-azaspiro[3.5]nonane

C17H24FN — CID 103565654

IUPAC5-(2-fluorophenyl)-2-propan-2-yl-7-azaspiro[3.5]nonane
SMILESCC(C)C1CC2(CCNCC2c2ccccc2F)C1
InChIInChI=1S/C17H24FN/c1-12(2)13-9-17(10-13)7-8-19-11-15(17)14-5-3-4-6-16(14)18/h3-6,12-13,15,19H,7-11H2,1-2H3
InChIKeySJFUCHAODHSYMH-UHFFFAOYSA-N
MW261.38 g/mol
LogP3.95
Rot. Bonds2

About 5-(2-fluorophenyl)-2-propan-2-yl-7-azaspiro[3.5]nonane

5-(2-fluorophenyl)-2-propan-2-yl-7-azaspiro[3.5]nonane (PubChem CID 103565654) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-2-propan-2-yl-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name5-(2-fluorophenyl)-2-propan-2-yl-7-azaspiro[3.5]nonane
PubChem CID103565654
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC Name5-(2-fluorophenyl)-2-propan-2-yl-7-azaspiro[3.5]nonane
SMILESCC(C)C1CC2(CCNCC2c2ccccc2F)C1
InChIInChI=1S/C17H24FN/c1-12(2)13-9-17(10-13)7-8-19-11-15(17)14-5-3-4-6-16(14)18/h3-6,12-13,15,19H,7-11H2,1-2H3
InChIKeySJFUCHAODHSYMH-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-2-propan-2-yl-7-azaspiro[3.5]nonane?
The IUPAC name of 5-(2-fluorophenyl)-2-propan-2-yl-7-azaspiro[3.5]nonane (CID 103565654) is 5-(2-fluorophenyl)-2-propan-2-yl-7-azaspiro[3.5]nonane.
What is the SMILES notation for 5-(2-fluorophenyl)-2-propan-2-yl-7-azaspiro[3.5]nonane?
The canonical SMILES for 5-(2-fluorophenyl)-2-propan-2-yl-7-azaspiro[3.5]nonane is CC(C)C1CC2(CCNCC2c2ccccc2F)C1.
What is the InChIKey of 5-(2-fluorophenyl)-2-propan-2-yl-7-azaspiro[3.5]nonane?
The InChIKey is SJFUCHAODHSYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN/c1-12(2)13-9-17(10-13)7-8-19-11-15(17)14-5-3-4-6-16(14)18/h3-6,12-13,15,19H,7-11H2,1-2H3.
What are the key properties of 5-(2-fluorophenyl)-2-propan-2-yl-7-azaspiro[3.5]nonane?
5-(2-fluorophenyl)-2-propan-2-yl-7-azaspiro[3.5]nonane has a molecular weight of 261.38 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-2-propan-2-yl-7-azaspiro[3.5]nonane is sourced from PubChem (CID 103565654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).