2-(1-fluoroethoxy)-6,7-di(propan-2-yl)-6-azaspiro[3.5]nonane

C16H30FNO — CID 175612383

IUPAC2-(1-fluoroethoxy)-6,7-di(propan-2-yl)-6-azaspiro[3.5]nonane
SMILESCC(F)OC1CC2(CCC(C(C)C)N(C(C)C)C2)C1
InChIInChI=1S/C16H30FNO/c1-11(2)15-6-7-16(10-18(15)12(3)4)8-14(9-16)19-13(5)17/h11-15H,6-10H2,1-5H3
InChIKeyXEWXTWWGLBGBNK-UHFFFAOYSA-N
MW271.42 g/mol
LogP4.00
Rot. Bonds4

About 2-(1-fluoroethoxy)-6,7-di(propan-2-yl)-6-azaspiro[3.5]nonane

2-(1-fluoroethoxy)-6,7-di(propan-2-yl)-6-azaspiro[3.5]nonane (PubChem CID 175612383) has the molecular formula C16H30FNO and a molecular weight of 271.42 g/mol. Its IUPAC name is 2-(1-fluoroethoxy)-6,7-di(propan-2-yl)-6-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(1-fluoroethoxy)-6,7-di(propan-2-yl)-6-azaspiro[3.5]nonane
PubChem CID175612383
Molecular FormulaC16H30FNO
Molecular Weight271.42 g/mol
Exact Mass271.23
IUPAC Name2-(1-fluoroethoxy)-6,7-di(propan-2-yl)-6-azaspiro[3.5]nonane
SMILESCC(F)OC1CC2(CCC(C(C)C)N(C(C)C)C2)C1
InChIInChI=1S/C16H30FNO/c1-11(2)15-6-7-16(10-18(15)12(3)4)8-14(9-16)19-13(5)17/h11-15H,6-10H2,1-5H3
InChIKeyXEWXTWWGLBGBNK-UHFFFAOYSA-N
XLogP4.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethoxy)-6,7-di(propan-2-yl)-6-azaspiro[3.5]nonane?
The IUPAC name of 2-(1-fluoroethoxy)-6,7-di(propan-2-yl)-6-azaspiro[3.5]nonane (CID 175612383) is 2-(1-fluoroethoxy)-6,7-di(propan-2-yl)-6-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(1-fluoroethoxy)-6,7-di(propan-2-yl)-6-azaspiro[3.5]nonane?
The canonical SMILES for 2-(1-fluoroethoxy)-6,7-di(propan-2-yl)-6-azaspiro[3.5]nonane is CC(F)OC1CC2(CCC(C(C)C)N(C(C)C)C2)C1.
What is the InChIKey of 2-(1-fluoroethoxy)-6,7-di(propan-2-yl)-6-azaspiro[3.5]nonane?
The InChIKey is XEWXTWWGLBGBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30FNO/c1-11(2)15-6-7-16(10-18(15)12(3)4)8-14(9-16)19-13(5)17/h11-15H,6-10H2,1-5H3.
What are the key properties of 2-(1-fluoroethoxy)-6,7-di(propan-2-yl)-6-azaspiro[3.5]nonane?
2-(1-fluoroethoxy)-6,7-di(propan-2-yl)-6-azaspiro[3.5]nonane has a molecular weight of 271.42 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethoxy)-6,7-di(propan-2-yl)-6-azaspiro[3.5]nonane is sourced from PubChem (CID 175612383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).