1,1,1-trifluoro-3-(9-oxa-6-azaspiro[4.5]decan-6-yl)propan-2-ol

C11H18F3NO2 — CID 86792788

IUPAC1,1,1-trifluoro-3-(9-oxa-6-azaspiro[4.5]decan-6-yl)propan-2-ol
SMILESOC(CN1CCOCC12CCCC2)C(F)(F)F
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)9(16)7-15-5-6-17-8-10(15)3-1-2-4-10/h9,16H,1-8H2
InChIKeyKXOLDWLKSUTLLQ-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.55
Rot. Bonds2

About 1,1,1-trifluoro-3-(9-oxa-6-azaspiro[4.5]decan-6-yl)propan-2-ol

1,1,1-trifluoro-3-(9-oxa-6-azaspiro[4.5]decan-6-yl)propan-2-ol (PubChem CID 86792788) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(9-oxa-6-azaspiro[4.5]decan-6-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(9-oxa-6-azaspiro[4.5]decan-6-yl)propan-2-ol
PubChem CID86792788
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name1,1,1-trifluoro-3-(9-oxa-6-azaspiro[4.5]decan-6-yl)propan-2-ol
SMILESOC(CN1CCOCC12CCCC2)C(F)(F)F
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)9(16)7-15-5-6-17-8-10(15)3-1-2-4-10/h9,16H,1-8H2
InChIKeyKXOLDWLKSUTLLQ-UHFFFAOYSA-N
XLogP1.55
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(9-oxa-6-azaspiro[4.5]decan-6-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(9-oxa-6-azaspiro[4.5]decan-6-yl)propan-2-ol (CID 86792788) is 1,1,1-trifluoro-3-(9-oxa-6-azaspiro[4.5]decan-6-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(9-oxa-6-azaspiro[4.5]decan-6-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(9-oxa-6-azaspiro[4.5]decan-6-yl)propan-2-ol is OC(CN1CCOCC12CCCC2)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(9-oxa-6-azaspiro[4.5]decan-6-yl)propan-2-ol?
The InChIKey is KXOLDWLKSUTLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c12-11(13,14)9(16)7-15-5-6-17-8-10(15)3-1-2-4-10/h9,16H,1-8H2.
What are the key properties of 1,1,1-trifluoro-3-(9-oxa-6-azaspiro[4.5]decan-6-yl)propan-2-ol?
1,1,1-trifluoro-3-(9-oxa-6-azaspiro[4.5]decan-6-yl)propan-2-ol has a molecular weight of 253.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(9-oxa-6-azaspiro[4.5]decan-6-yl)propan-2-ol is sourced from PubChem (CID 86792788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).