6,7-bis(ethenyl)-2-(trifluoromethyl)-2,3,4,5-tetrahydrooxepin-3-ol

C11H13F3O2 — CID 163222548

IUPAC6,7-bis(ethenyl)-2-(trifluoromethyl)-2,3,4,5-tetrahydrooxepin-3-ol
SMILESC=CC1=C(C=C)OC(C(F)(F)F)C(O)CC1
InChIInChI=1S/C11H13F3O2/c1-3-7-5-6-8(15)10(11(12,13)14)16-9(7)4-2/h3-4,8,10,15H,1-2,5-6H2
InChIKeySZWAGDUZPZXDIS-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.71
Rot. Bonds2

About 6,7-bis(ethenyl)-2-(trifluoromethyl)-2,3,4,5-tetrahydrooxepin-3-ol

6,7-bis(ethenyl)-2-(trifluoromethyl)-2,3,4,5-tetrahydrooxepin-3-ol (PubChem CID 163222548) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 6,7-bis(ethenyl)-2-(trifluoromethyl)-2,3,4,5-tetrahydrooxepin-3-ol.

Molecular Properties

Compound Name6,7-bis(ethenyl)-2-(trifluoromethyl)-2,3,4,5-tetrahydrooxepin-3-ol
PubChem CID163222548
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name6,7-bis(ethenyl)-2-(trifluoromethyl)-2,3,4,5-tetrahydrooxepin-3-ol
SMILESC=CC1=C(C=C)OC(C(F)(F)F)C(O)CC1
InChIInChI=1S/C11H13F3O2/c1-3-7-5-6-8(15)10(11(12,13)14)16-9(7)4-2/h3-4,8,10,15H,1-2,5-6H2
InChIKeySZWAGDUZPZXDIS-UHFFFAOYSA-N
XLogP2.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,7-bis(ethenyl)-2-(trifluoromethyl)-2,3,4,5-tetrahydrooxepin-3-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 6,7-bis(ethenyl)-2-(trifluoromethyl)-2,3,4,5-tetrahydrooxepin-3-ol?
The IUPAC name of 6,7-bis(ethenyl)-2-(trifluoromethyl)-2,3,4,5-tetrahydrooxepin-3-ol (CID 163222548) is 6,7-bis(ethenyl)-2-(trifluoromethyl)-2,3,4,5-tetrahydrooxepin-3-ol.
What is the SMILES notation for 6,7-bis(ethenyl)-2-(trifluoromethyl)-2,3,4,5-tetrahydrooxepin-3-ol?
The canonical SMILES for 6,7-bis(ethenyl)-2-(trifluoromethyl)-2,3,4,5-tetrahydrooxepin-3-ol is C=CC1=C(C=C)OC(C(F)(F)F)C(O)CC1.
What is the InChIKey of 6,7-bis(ethenyl)-2-(trifluoromethyl)-2,3,4,5-tetrahydrooxepin-3-ol?
The InChIKey is SZWAGDUZPZXDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2/c1-3-7-5-6-8(15)10(11(12,13)14)16-9(7)4-2/h3-4,8,10,15H,1-2,5-6H2.
What are the key properties of 6,7-bis(ethenyl)-2-(trifluoromethyl)-2,3,4,5-tetrahydrooxepin-3-ol?
6,7-bis(ethenyl)-2-(trifluoromethyl)-2,3,4,5-tetrahydrooxepin-3-ol has a molecular weight of 234.22 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(ethenyl)-2-(trifluoromethyl)-2,3,4,5-tetrahydrooxepin-3-ol is sourced from PubChem (CID 163222548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).