3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.4]octan-1-ol

C11H14F6O2 — CID 102723534

IUPAC3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.4]octan-1-ol
SMILESOC1CC(OC(C(F)(F)F)C(F)(F)F)C12CCCC2
InChIInChI=1S/C11H14F6O2/c12-10(13,14)8(11(15,16)17)19-7-5-6(18)9(7)3-1-2-4-9/h6-8,18H,1-5H2
InChIKeyDMQGKKGKQPTJPP-UHFFFAOYSA-N
MW292.22 g/mol
LogP3.19
Rot. Bonds2

About 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.4]octan-1-ol

3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.4]octan-1-ol (PubChem CID 102723534) has the molecular formula C11H14F6O2 and a molecular weight of 292.22 g/mol. Its IUPAC name is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.4]octan-1-ol.

Molecular Properties

Compound Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.4]octan-1-ol
PubChem CID102723534
Molecular FormulaC11H14F6O2
Molecular Weight292.22 g/mol
Exact Mass292.09
IUPAC Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.4]octan-1-ol
SMILESOC1CC(OC(C(F)(F)F)C(F)(F)F)C12CCCC2
InChIInChI=1S/C11H14F6O2/c12-10(13,14)8(11(15,16)17)19-7-5-6(18)9(7)3-1-2-4-9/h6-8,18H,1-5H2
InChIKeyDMQGKKGKQPTJPP-UHFFFAOYSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane
CID 102723537
3-chloro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane
CID 102723538
3-pentan-2-yloxyspiro[3.5]nonan-1-ol
CID 102988636
3-(3-methylbutoxy)spiro[3.4]octan-1-ol
CID 66367928
(1S,3R)-3-ethoxyspiro[3.5]nonan-1-ol
CID 95396494
3-[2-(trifluoromethyl)phenoxy]spiro[3.5]nonan-1-ol
CID 66368938
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutan-1-ol
CID 102723532
N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine
CID 66351620
3-(oxolan-3-yloxy)spiro[3.4]octan-1-ol
CID 66343335
3-(2-fluorophenoxy)spiro[3.6]decan-1-ol
CID 66366664
potassium trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide
CID 167716796
3-(3-methylcyclohexyl)oxyspiro[3.5]nonan-1-ol
CID 66366293

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.4]octan-1-ol?
The IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.4]octan-1-ol (CID 102723534) is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.4]octan-1-ol.
What is the SMILES notation for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.4]octan-1-ol?
The canonical SMILES for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.4]octan-1-ol is OC1CC(OC(C(F)(F)F)C(F)(F)F)C12CCCC2.
What is the InChIKey of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.4]octan-1-ol?
The InChIKey is DMQGKKGKQPTJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F6O2/c12-10(13,14)8(11(15,16)17)19-7-5-6(18)9(7)3-1-2-4-9/h6-8,18H,1-5H2.
What are the key properties of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.4]octan-1-ol?
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.4]octan-1-ol has a molecular weight of 292.22 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.4]octan-1-ol is sourced from PubChem (CID 102723534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).