3-(3-fluoropyrrolidin-1-yl)-6-propan-2-yl-6-azaspiro[3.4]octane

C14H25FN2 — CID 177005747

IUPAC3-(3-fluoropyrrolidin-1-yl)-6-propan-2-yl-6-azaspiro[3.4]octane
SMILESCC(C)N1CCC2(CCC2N2CCC(F)C2)C1
InChIInChI=1S/C14H25FN2/c1-11(2)17-8-6-14(10-17)5-3-13(14)16-7-4-12(15)9-16/h11-13H,3-10H2,1-2H3
InChIKeyKOUYEGNXUCDWTI-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.29
Rot. Bonds2

About 3-(3-fluoropyrrolidin-1-yl)-6-propan-2-yl-6-azaspiro[3.4]octane

3-(3-fluoropyrrolidin-1-yl)-6-propan-2-yl-6-azaspiro[3.4]octane (PubChem CID 177005747) has the molecular formula C14H25FN2 and a molecular weight of 240.37 g/mol. Its IUPAC name is 3-(3-fluoropyrrolidin-1-yl)-6-propan-2-yl-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name3-(3-fluoropyrrolidin-1-yl)-6-propan-2-yl-6-azaspiro[3.4]octane
PubChem CID177005747
Molecular FormulaC14H25FN2
Molecular Weight240.37 g/mol
Exact Mass240.20
IUPAC Name3-(3-fluoropyrrolidin-1-yl)-6-propan-2-yl-6-azaspiro[3.4]octane
SMILESCC(C)N1CCC2(CCC2N2CCC(F)C2)C1
InChIInChI=1S/C14H25FN2/c1-11(2)17-8-6-14(10-17)5-3-13(14)16-7-4-12(15)9-16/h11-13H,3-10H2,1-2H3
InChIKeyKOUYEGNXUCDWTI-UHFFFAOYSA-N
XLogP2.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropyrrolidin-1-yl)-6-propan-2-yl-6-azaspiro[3.4]octane?
The IUPAC name of 3-(3-fluoropyrrolidin-1-yl)-6-propan-2-yl-6-azaspiro[3.4]octane (CID 177005747) is 3-(3-fluoropyrrolidin-1-yl)-6-propan-2-yl-6-azaspiro[3.4]octane.
What is the SMILES notation for 3-(3-fluoropyrrolidin-1-yl)-6-propan-2-yl-6-azaspiro[3.4]octane?
The canonical SMILES for 3-(3-fluoropyrrolidin-1-yl)-6-propan-2-yl-6-azaspiro[3.4]octane is CC(C)N1CCC2(CCC2N2CCC(F)C2)C1.
What is the InChIKey of 3-(3-fluoropyrrolidin-1-yl)-6-propan-2-yl-6-azaspiro[3.4]octane?
The InChIKey is KOUYEGNXUCDWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2/c1-11(2)17-8-6-14(10-17)5-3-13(14)16-7-4-12(15)9-16/h11-13H,3-10H2,1-2H3.
What are the key properties of 3-(3-fluoropyrrolidin-1-yl)-6-propan-2-yl-6-azaspiro[3.4]octane?
3-(3-fluoropyrrolidin-1-yl)-6-propan-2-yl-6-azaspiro[3.4]octane has a molecular weight of 240.37 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropyrrolidin-1-yl)-6-propan-2-yl-6-azaspiro[3.4]octane is sourced from PubChem (CID 177005747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).