1-ethenyl-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]adamantane

C19H26F6O — CID 23405438

IUPAC1-ethenyl-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]adamantane
SMILESC=CC12CC3CC(C1)CC(C(OC(C)(C)C)(C(F)(F)F)C(F)(F)F)(C3)C2
InChIInChI=1S/C19H26F6O/c1-5-15-7-12-6-13(8-15)10-16(9-12,11-15)17(18(20,21)22,19(23,24)25)26-14(2,3)4/h5,12-13H,1,6-11H2,2-4H3
InChIKeySZPJPVNOHSHBPT-UHFFFAOYSA-N
MW384.40 g/mol
LogP6.44
Rot. Bonds3

About 1-ethenyl-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]adamantane

1-ethenyl-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]adamantane (PubChem CID 23405438) has the molecular formula C19H26F6O and a molecular weight of 384.40 g/mol. Its IUPAC name is 1-ethenyl-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]adamantane.

Molecular Properties

Compound Name1-ethenyl-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]adamantane
PubChem CID23405438
Molecular FormulaC19H26F6O
Molecular Weight384.40 g/mol
Exact Mass384.19
IUPAC Name1-ethenyl-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]adamantane
SMILESC=CC12CC3CC(C1)CC(C(OC(C)(C)C)(C(F)(F)F)C(F)(F)F)(C3)C2
InChIInChI=1S/C19H26F6O/c1-5-15-7-12-6-13(8-15)10-16(9-12,11-15)17(18(20,21)22,19(23,24)25)26-14(2,3)4/h5,12-13H,1,6-11H2,2-4H3
InChIKeySZPJPVNOHSHBPT-UHFFFAOYSA-N
XLogP6.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.40
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-ethenyl-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]adamantane 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 1-ethenyl-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]adamantane?
The IUPAC name of 1-ethenyl-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]adamantane (CID 23405438) is 1-ethenyl-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]adamantane.
What is the SMILES notation for 1-ethenyl-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]adamantane?
The canonical SMILES for 1-ethenyl-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]adamantane is C=CC12CC3CC(C1)CC(C(OC(C)(C)C)(C(F)(F)F)C(F)(F)F)(C3)C2.
What is the InChIKey of 1-ethenyl-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]adamantane?
The InChIKey is SZPJPVNOHSHBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F6O/c1-5-15-7-12-6-13(8-15)10-16(9-12,11-15)17(18(20,21)22,19(23,24)25)26-14(2,3)4/h5,12-13H,1,6-11H2,2-4H3.
What are the key properties of 1-ethenyl-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]adamantane?
1-ethenyl-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]adamantane has a molecular weight of 384.40 g/mol, XLogP of 6.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]adamantane is sourced from PubChem (CID 23405438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).