3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-ol

C12H16F6O2 — CID 103312575

IUPAC3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-ol
SMILESOC(C1CCOC2(CCC2)C1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H16F6O2/c13-11(14,15)9(12(16,17)18)8(19)7-2-5-20-10(6-7)3-1-4-10/h7-9,19H,1-6H2
InChIKeyPEKVTHNVNGPKNL-UHFFFAOYSA-N
MW306.25 g/mol
LogP3.44
Rot. Bonds2

About 3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-ol

3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-ol (PubChem CID 103312575) has the molecular formula C12H16F6O2 and a molecular weight of 306.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-ol
PubChem CID103312575
Molecular FormulaC12H16F6O2
Molecular Weight306.25 g/mol
Exact Mass306.11
IUPAC Name3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-ol
SMILESOC(C1CCOC2(CCC2)C1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H16F6O2/c13-11(14,15)9(12(16,17)18)8(19)7-2-5-20-10(6-7)3-1-4-10/h7-9,19H,1-6H2
InChIKeyPEKVTHNVNGPKNL-UHFFFAOYSA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-ol with MolForge

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Related Compounds

2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79921915
2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79921916
1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol
CID 103459246
2-cyclopropyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol
CID 115819806
1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol
CID 103454715
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248
3-(5-oxaspiro[3.5]nonan-8-yl)butan-2-ol
CID 79911578
cyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899192
5-oxaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanol
CID 79913378
(1R)-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 113404900
cyclopropyl(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912354
2,2-difluoro-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 103516870

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-ol (CID 103312575) is 3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-ol is OC(C1CCOC2(CCC2)C1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-ol?
The InChIKey is PEKVTHNVNGPKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F6O2/c13-11(14,15)9(12(16,17)18)8(19)7-2-5-20-10(6-7)3-1-4-10/h7-9,19H,1-6H2.
What are the key properties of 3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-ol?
3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-ol has a molecular weight of 306.25 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-ol is sourced from PubChem (CID 103312575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).