4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-ol

C10H10F6O2 — CID 58662950

IUPAC4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-ol
SMILESOC1CC2CC1C1C2OC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F6O2/c11-9(12,13)8(10(14,15)16)6-4-1-3(2-5(4)17)7(6)18-8/h3-7,17H,1-2H2
InChIKeyZYGCMZZLMRUFDO-UHFFFAOYSA-N
MW276.18 g/mol
LogP2.27
Rot. Bonds

About 4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-ol

4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-ol (PubChem CID 58662950) has the molecular formula C10H10F6O2 and a molecular weight of 276.18 g/mol. Its IUPAC name is 4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-ol.

Molecular Properties

Compound Name4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-ol
PubChem CID58662950
Molecular FormulaC10H10F6O2
Molecular Weight276.18 g/mol
Exact Mass276.06
IUPAC Name4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-ol
SMILESOC1CC2CC1C1C2OC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F6O2/c11-9(12,13)8(10(14,15)16)6-4-1-3(2-5(4)17)7(6)18-8/h3-7,17H,1-2H2
InChIKeyZYGCMZZLMRUFDO-UHFFFAOYSA-N
XLogP2.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-Bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)bicyclo[2.2.1]heptan-2-ol
CID 20760927
4,4-Bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane
CID 21033009
2-[5-Butan-2-yloxy-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 57806680
3-(6-Butan-2-yloxy-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 58205733
(1S,6R)-7-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane
CID 58662941
(1S,6S)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-ol
CID 58662942
(1R,6S)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane
CID 58662943
(1S,6R)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane
CID 58662945
7-Ethenoxy-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane
CID 58662946
(1R,6S)-7-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane
CID 58662947
(1R,6R)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-ol
CID 58662949
(1S,6R)-7-ethenoxy-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane
CID 58662951

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-ol?
The IUPAC name of 4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-ol (CID 58662950) is 4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-ol.
What is the SMILES notation for 4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-ol?
The canonical SMILES for 4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-ol is OC1CC2CC1C1C2OC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-ol?
The InChIKey is ZYGCMZZLMRUFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6O2/c11-9(12,13)8(10(14,15)16)6-4-1-3(2-5(4)17)7(6)18-8/h3-7,17H,1-2H2.
What are the key properties of 4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-ol?
4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-ol has a molecular weight of 276.18 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-ol is sourced from PubChem (CID 58662950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).