(1S,6S)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-ol

C10H10F6O2 — CID 58662942

IUPAC(1S,6S)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-ol
SMILESOC1C[C@@H]2C[C@@H]1C1OC(C(F)(F)F)(C(F)(F)F)C12
InChIInChI=1S/C10H10F6O2/c11-9(12,13)8(10(14,15)16)6-3-1-4(5(17)2-3)7(6)18-8/h3-7,17H,1-2H2/t3-,4-,5?,6?,7?/m0/s1
InChIKeyDDPIBHYOARCAMH-PWSZLAETSA-N
MW276.18 g/mol
LogP2.27
Rot. Bonds

About (1S,6S)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-ol

(1S,6S)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-ol (PubChem CID 58662942) has the molecular formula C10H10F6O2 and a molecular weight of 276.18 g/mol. Its IUPAC name is (1S,6S)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-ol.

Molecular Properties

Compound Name(1S,6S)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-ol
PubChem CID58662942
Molecular FormulaC10H10F6O2
Molecular Weight276.18 g/mol
Exact Mass276.06
IUPAC Name(1S,6S)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-ol
SMILESOC1C[C@@H]2C[C@@H]1C1OC(C(F)(F)F)(C(F)(F)F)C12
InChIInChI=1S/C10H10F6O2/c11-9(12,13)8(10(14,15)16)6-3-1-4(5(17)2-3)7(6)18-8/h3-7,17H,1-2H2/t3-,4-,5?,6?,7?/m0/s1
InChIKeyDDPIBHYOARCAMH-PWSZLAETSA-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
2-[[5-Butan-2-yloxy-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 57806673
(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
(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
4,4-Bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-ol
CID 58662950
(1R,6S)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-ol
CID 58662952
(1S,6R)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-ol
CID 58662953
(1R,6R)-8-ethenoxy-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane
CID 58662954
(1R,6R)-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane
CID 58662956
(1S,6S)-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane
CID 58662958
(1S,6S)-8-ethenoxy-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane
CID 58662959

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-ol?
The IUPAC name of (1S,6S)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-ol (CID 58662942) is (1S,6S)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-ol.
What is the SMILES notation for (1S,6S)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-ol?
The canonical SMILES for (1S,6S)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-ol is OC1C[C@@H]2C[C@@H]1C1OC(C(F)(F)F)(C(F)(F)F)C12.
What is the InChIKey of (1S,6S)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-ol?
The InChIKey is DDPIBHYOARCAMH-PWSZLAETSA-N. The full InChI is InChI=1S/C10H10F6O2/c11-9(12,13)8(10(14,15)16)6-3-1-4(5(17)2-3)7(6)18-8/h3-7,17H,1-2H2/t3-,4-,5?,6?,7?/m0/s1.
What are the key properties of (1S,6S)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-ol?
(1S,6S)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-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 (1S,6S)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-ol is sourced from PubChem (CID 58662942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).