3-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)propan-1-ol

C10H18FNO — CID 166894569

IUPAC3-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)propan-1-ol
SMILESCC1(F)CC2(CN(CCCO)C2)C1
InChIInChI=1S/C10H18FNO/c1-9(11)5-10(6-9)7-12(8-10)3-2-4-13/h13H,2-8H2,1H3
InChIKeyJXOGQWFXRXTYSP-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.19
Rot. Bonds3

About 3-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)propan-1-ol

3-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)propan-1-ol (PubChem CID 166894569) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 3-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)propan-1-ol
PubChem CID166894569
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name3-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)propan-1-ol
SMILESCC1(F)CC2(CN(CCCO)C2)C1
InChIInChI=1S/C10H18FNO/c1-9(11)5-10(6-9)7-12(8-10)3-2-4-13/h13H,2-8H2,1H3
InChIKeyJXOGQWFXRXTYSP-UHFFFAOYSA-N
XLogP1.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)propan-1-ol?
The IUPAC name of 3-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)propan-1-ol (CID 166894569) is 3-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)propan-1-ol.
What is the SMILES notation for 3-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)propan-1-ol?
The canonical SMILES for 3-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)propan-1-ol is CC1(F)CC2(CN(CCCO)C2)C1.
What is the InChIKey of 3-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)propan-1-ol?
The InChIKey is JXOGQWFXRXTYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-9(11)5-10(6-9)7-12(8-10)3-2-4-13/h13H,2-8H2,1H3.
What are the key properties of 3-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)propan-1-ol?
3-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)propan-1-ol has a molecular weight of 187.26 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)propan-1-ol is sourced from PubChem (CID 166894569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).