2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol

C12H19F3O2 — CID 79921916

IUPAC2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
SMILESOC(C1CCOC2(CCCCC2)C1)C(F)(F)F
InChIInChI=1S/C12H19F3O2/c13-12(14,15)10(16)9-4-7-17-11(8-9)5-2-1-3-6-11/h9-10,16H,1-8H2
InChIKeyYMABBFVVCKTDMH-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.04
Rot. Bonds1

About 2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol

2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol (PubChem CID 79921916) has the molecular formula C12H19F3O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
PubChem CID79921916
Molecular FormulaC12H19F3O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
SMILESOC(C1CCOC2(CCCCC2)C1)C(F)(F)F
InChIInChI=1S/C12H19F3O2/c13-12(14,15)10(16)9-4-7-17-11(8-9)5-2-1-3-6-11/h9-10,16H,1-8H2
InChIKeyYMABBFVVCKTDMH-UHFFFAOYSA-N
XLogP3.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79921915
(1R)-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 113404900
3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-ol
CID 103312575
cyclopropyl(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912354
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248
2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 79920933
1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol
CID 103459246
(1-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106830968
N-ethyl-2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105016200
cyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899192
N-ethyl-2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 105016756
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 79921120

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol (CID 79921916) is 2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol is OC(C1CCOC2(CCCCC2)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol?
The InChIKey is YMABBFVVCKTDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3O2/c13-12(14,15)10(16)9-4-7-17-11(8-9)5-2-1-3-6-11/h9-10,16H,1-8H2.
What are the key properties of 2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol?
2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol has a molecular weight of 252.28 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol is sourced from PubChem (CID 79921916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).