(1S,7R)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-9-ol

C10H10F6O2 — CID 59431299

IUPAC(1S,7R)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-9-ol
SMILESOC1C2[C@H]3C[C@H]1CC3OC2(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F6O2/c11-9(12,13)8(10(14,15)16)6-4-1-3(7(6)17)2-5(4)18-8/h3-7,17H,1-2H2/t3-,4-,5?,6?,7?/m0/s1
InChIKeyCTCVKANQVLMBBW-PWSZLAETSA-N
MW276.18 g/mol
LogP2.27
Rot. Bonds

About (1S,7R)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-9-ol

(1S,7R)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-9-ol (PubChem CID 59431299) has the molecular formula C10H10F6O2 and a molecular weight of 276.18 g/mol. Its IUPAC name is (1S,7R)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-9-ol.

Molecular Properties

Compound Name(1S,7R)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-9-ol
PubChem CID59431299
Molecular FormulaC10H10F6O2
Molecular Weight276.18 g/mol
Exact Mass276.06
IUPAC Name(1S,7R)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-9-ol
SMILESOC1C2[C@H]3C[C@H]1CC3OC2(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F6O2/c11-9(12,13)8(10(14,15)16)6-4-1-3(7(6)17)2-5(4)18-8/h3-7,17H,1-2H2/t3-,4-,5?,6?,7?/m0/s1
InChIKeyCTCVKANQVLMBBW-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

Analyze (1S,7R)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-9-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,7R)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-9-ol?
The IUPAC name of (1S,7R)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-9-ol (CID 59431299) is (1S,7R)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-9-ol.
What is the SMILES notation for (1S,7R)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-9-ol?
The canonical SMILES for (1S,7R)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-9-ol is OC1C2[C@H]3C[C@H]1CC3OC2(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (1S,7R)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-9-ol?
The InChIKey is CTCVKANQVLMBBW-PWSZLAETSA-N. The full InChI is InChI=1S/C10H10F6O2/c11-9(12,13)8(10(14,15)16)6-4-1-3(7(6)17)2-5(4)18-8/h3-7,17H,1-2H2/t3-,4-,5?,6?,7?/m0/s1.
What are the key properties of (1S,7R)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-9-ol?
(1S,7R)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-9-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,7R)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-9-ol is sourced from PubChem (CID 59431299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).