2-propan-2-yloxy-7-(1,1,1-trifluoro-3-methylbutan-2-yl)-7-azaspiro[3.5]nonane

C16H28F3NO — CID 176558316

IUPAC2-propan-2-yloxy-7-(1,1,1-trifluoro-3-methylbutan-2-yl)-7-azaspiro[3.5]nonane
SMILESCC(C)OC1CC2(CCN(C(C(C)C)C(F)(F)F)CC2)C1
InChIInChI=1S/C16H28F3NO/c1-11(2)14(16(17,18)19)20-7-5-15(6-8-20)9-13(10-15)21-12(3)4/h11-14H,5-10H2,1-4H3
InChIKeyMXEXQDKOSIVIIX-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.24
Rot. Bonds4

About 2-propan-2-yloxy-7-(1,1,1-trifluoro-3-methylbutan-2-yl)-7-azaspiro[3.5]nonane

2-propan-2-yloxy-7-(1,1,1-trifluoro-3-methylbutan-2-yl)-7-azaspiro[3.5]nonane (PubChem CID 176558316) has the molecular formula C16H28F3NO and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-propan-2-yloxy-7-(1,1,1-trifluoro-3-methylbutan-2-yl)-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-propan-2-yloxy-7-(1,1,1-trifluoro-3-methylbutan-2-yl)-7-azaspiro[3.5]nonane
PubChem CID176558316
Molecular FormulaC16H28F3NO
Molecular Weight307.40 g/mol
Exact Mass307.21
IUPAC Name2-propan-2-yloxy-7-(1,1,1-trifluoro-3-methylbutan-2-yl)-7-azaspiro[3.5]nonane
SMILESCC(C)OC1CC2(CCN(C(C(C)C)C(F)(F)F)CC2)C1
InChIInChI=1S/C16H28F3NO/c1-11(2)14(16(17,18)19)20-7-5-15(6-8-20)9-13(10-15)21-12(3)4/h11-14H,5-10H2,1-4H3
InChIKeyMXEXQDKOSIVIIX-UHFFFAOYSA-N
XLogP4.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-7-(1,1,1-trifluoro-3-methylbutan-2-yl)-7-azaspiro[3.5]nonane?
The IUPAC name of 2-propan-2-yloxy-7-(1,1,1-trifluoro-3-methylbutan-2-yl)-7-azaspiro[3.5]nonane (CID 176558316) is 2-propan-2-yloxy-7-(1,1,1-trifluoro-3-methylbutan-2-yl)-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-propan-2-yloxy-7-(1,1,1-trifluoro-3-methylbutan-2-yl)-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-propan-2-yloxy-7-(1,1,1-trifluoro-3-methylbutan-2-yl)-7-azaspiro[3.5]nonane is CC(C)OC1CC2(CCN(C(C(C)C)C(F)(F)F)CC2)C1.
What is the InChIKey of 2-propan-2-yloxy-7-(1,1,1-trifluoro-3-methylbutan-2-yl)-7-azaspiro[3.5]nonane?
The InChIKey is MXEXQDKOSIVIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3NO/c1-11(2)14(16(17,18)19)20-7-5-15(6-8-20)9-13(10-15)21-12(3)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 2-propan-2-yloxy-7-(1,1,1-trifluoro-3-methylbutan-2-yl)-7-azaspiro[3.5]nonane?
2-propan-2-yloxy-7-(1,1,1-trifluoro-3-methylbutan-2-yl)-7-azaspiro[3.5]nonane has a molecular weight of 307.40 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-7-(1,1,1-trifluoro-3-methylbutan-2-yl)-7-azaspiro[3.5]nonane is sourced from PubChem (CID 176558316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).