(1R,7S)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol

C10H10F6O2 — CID 89040687

IUPAC(1R,7S)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol
SMILESOC1C2OC(C(F)(F)F)(C(F)(F)F)C3C[C@H]1C[C@H]23
InChIInChI=1S/C10H10F6O2/c11-9(12,13)8(10(14,15)16)5-2-3-1-4(5)7(18-8)6(3)17/h3-7,17H,1-2H2/t3-,4+,5?,6?,7?/m1/s1
InChIKeyZURVVDPTJZSBIG-AEYVIUQBSA-N
MW276.18 g/mol
LogP2.27
Rot. Bonds

About (1R,7S)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol

(1R,7S)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol (PubChem CID 89040687) has the molecular formula C10H10F6O2 and a molecular weight of 276.18 g/mol. Its IUPAC name is (1R,7S)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol.

Molecular Properties

Compound Name(1R,7S)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol
PubChem CID89040687
Molecular FormulaC10H10F6O2
Molecular Weight276.18 g/mol
Exact Mass276.06
IUPAC Name(1R,7S)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol
SMILESOC1C2OC(C(F)(F)F)(C(F)(F)F)C3C[C@H]1C[C@H]23
InChIInChI=1S/C10H10F6O2/c11-9(12,13)8(10(14,15)16)5-2-3-1-4(5)7(18-8)6(3)17/h3-7,17H,1-2H2/t3-,4+,5?,6?,7?/m1/s1
InChIKeyZURVVDPTJZSBIG-AEYVIUQBSA-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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Frequently Asked Questions

What is the IUPAC name of (1R,7S)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol?
The IUPAC name of (1R,7S)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol (CID 89040687) is (1R,7S)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol.
What is the SMILES notation for (1R,7S)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol?
The canonical SMILES for (1R,7S)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol is OC1C2OC(C(F)(F)F)(C(F)(F)F)C3C[C@H]1C[C@H]23.
What is the InChIKey of (1R,7S)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol?
The InChIKey is ZURVVDPTJZSBIG-AEYVIUQBSA-N. The full InChI is InChI=1S/C10H10F6O2/c11-9(12,13)8(10(14,15)16)5-2-3-1-4(5)7(18-8)6(3)17/h3-7,17H,1-2H2/t3-,4+,5?,6?,7?/m1/s1.
What are the key properties of (1R,7S)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol?
(1R,7S)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-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 (1R,7S)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol is sourced from PubChem (CID 89040687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).