1,1,1-trifluoro-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propan-2-ol

C11H18F3NO3 — CID 106941102

IUPAC1,1,1-trifluoro-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propan-2-ol
SMILESOC(COC1COC2(CCNCC2)C1)C(F)(F)F
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)9(16)7-17-8-5-10(18-6-8)1-3-15-4-2-10/h8-9,15-16H,1-7H2
InChIKeyNSIPNGJVYTUYLE-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.84
Rot. Bonds3

About 1,1,1-trifluoro-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propan-2-ol

1,1,1-trifluoro-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propan-2-ol (PubChem CID 106941102) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propan-2-ol
PubChem CID106941102
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name1,1,1-trifluoro-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propan-2-ol
SMILESOC(COC1COC2(CCNCC2)C1)C(F)(F)F
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)9(16)7-17-8-5-10(18-6-8)1-3-15-4-2-10/h8-9,15-16H,1-7H2
InChIKeyNSIPNGJVYTUYLE-UHFFFAOYSA-N
XLogP0.84
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propan-2-ol (CID 106941102) is 1,1,1-trifluoro-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propan-2-ol is OC(COC1COC2(CCNCC2)C1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propan-2-ol?
The InChIKey is NSIPNGJVYTUYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c12-11(13,14)9(16)7-17-8-5-10(18-6-8)1-3-15-4-2-10/h8-9,15-16H,1-7H2.
What are the key properties of 1,1,1-trifluoro-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propan-2-ol?
1,1,1-trifluoro-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propan-2-ol has a molecular weight of 269.26 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propan-2-ol is sourced from PubChem (CID 106941102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).