3,3-difluoro-2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ol

C9H11F5O2 — CID 70948260

IUPAC3,3-difluoro-2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ol
SMILESOC1(C(F)(F)F)OC2CCCCC2C1(F)F
InChIInChI=1S/C9H11F5O2/c10-7(11)5-3-1-2-4-6(5)16-8(7,15)9(12,13)14/h5-6,15H,1-4H2
InChIKeyVSNRPZWHKPWIJK-UHFFFAOYSA-N
MW246.17 g/mol
LogP2.46
Rot. Bonds

About 3,3-difluoro-2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ol

3,3-difluoro-2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ol (PubChem CID 70948260) has the molecular formula C9H11F5O2 and a molecular weight of 246.17 g/mol. Its IUPAC name is 3,3-difluoro-2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ol.

Molecular Properties

Compound Name3,3-difluoro-2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ol
PubChem CID70948260
Molecular FormulaC9H11F5O2
Molecular Weight246.17 g/mol
Exact Mass246.07
IUPAC Name3,3-difluoro-2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ol
SMILESOC1(C(F)(F)F)OC2CCCCC2C1(F)F
InChIInChI=1S/C9H11F5O2/c10-7(11)5-3-1-2-4-6(5)16-8(7,15)9(12,13)14/h5-6,15H,1-4H2
InChIKeyVSNRPZWHKPWIJK-UHFFFAOYSA-N
XLogP2.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-difluoro-2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran-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 3,3-difluoro-2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ol?
The IUPAC name of 3,3-difluoro-2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ol (CID 70948260) is 3,3-difluoro-2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ol.
What is the SMILES notation for 3,3-difluoro-2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ol?
The canonical SMILES for 3,3-difluoro-2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ol is OC1(C(F)(F)F)OC2CCCCC2C1(F)F.
What is the InChIKey of 3,3-difluoro-2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ol?
The InChIKey is VSNRPZWHKPWIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F5O2/c10-7(11)5-3-1-2-4-6(5)16-8(7,15)9(12,13)14/h5-6,15H,1-4H2.
What are the key properties of 3,3-difluoro-2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ol?
3,3-difluoro-2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ol has a molecular weight of 246.17 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ol is sourced from PubChem (CID 70948260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).