4-(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol

C11H12F8O2 — CID 59678743

IUPAC4-(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
SMILESOC(CCC1C2CCC(O2)C1(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H12F8O2/c12-9(13)5(6-1-2-7(9)21-6)3-4-8(20,10(14,15)16)11(17,18)19/h5-7,20H,1-4H2
InChIKeyQOEDHAPZEBXILQ-UHFFFAOYSA-N
MW328.20 g/mol
LogP3.43
Rot. Bonds3

About 4-(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol

4-(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol (PubChem CID 59678743) has the molecular formula C11H12F8O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 4-(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name4-(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
PubChem CID59678743
Molecular FormulaC11H12F8O2
Molecular Weight328.20 g/mol
Exact Mass328.07
IUPAC Name4-(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
SMILESOC(CCC1C2CCC(O2)C1(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H12F8O2/c12-9(13)5(6-1-2-7(9)21-6)3-4-8(20,10(14,15)16)11(17,18)19/h5-7,20H,1-4H2
InChIKeyQOEDHAPZEBXILQ-UHFFFAOYSA-N
XLogP3.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-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 4-(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol?
The IUPAC name of 4-(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol (CID 59678743) is 4-(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for 4-(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol?
The canonical SMILES for 4-(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol is OC(CCC1C2CCC(O2)C1(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol?
The InChIKey is QOEDHAPZEBXILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F8O2/c12-9(13)5(6-1-2-7(9)21-6)3-4-8(20,10(14,15)16)11(17,18)19/h5-7,20H,1-4H2.
What are the key properties of 4-(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol?
4-(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol has a molecular weight of 328.20 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 59678743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).