[(E)-3-[1-(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosan-11-yloxy)ethoxy]prop-1-enyl]benzene

C32H22F34O2 — CID 15444951

IUPAC[(E)-3-[1-(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosan-11-yloxy)ethoxy]prop-1-enyl]benzene
SMILESCC(OC/C=C/c1ccccc1)OC(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C32H22F34O2/c1-14(67-13-5-8-15-6-3-2-4-7-15)68-16(9-11-17(33,34)19(37,38)21(41,42)23(45,46)25(49,50)27(53,54)29(57,58)31(61,62)63)10-12-18(35,36)20(39,40)22(43,44)24(47,48)26(51,52)28(55,56)30(59,60)32(64,65)66/h2-8,14,16H,9-13H2,1H3/b8-5+
InChIKeyOGIFLWHLNWQMQE-VMPITWQZSA-N
MW1084.46 g/mol
LogP15.03
Rot. Bonds24

About [(E)-3-[1-(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosan-11-yloxy)ethoxy]prop-1-enyl]benzene

[(E)-3-[1-(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosan-11-yloxy)ethoxy]prop-1-enyl]benzene (PubChem CID 15444951) has the molecular formula C32H22F34O2 and a molecular weight of 1084.46 g/mol. Its IUPAC name is [(E)-3-[1-(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosan-11-yloxy)ethoxy]prop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-[1-(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosan-11-yloxy)ethoxy]prop-1-enyl]benzene
PubChem CID15444951
Molecular FormulaC32H22F34O2
Molecular Weight1084.46 g/mol
Exact Mass1084.11
IUPAC Name[(E)-3-[1-(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosan-11-yloxy)ethoxy]prop-1-enyl]benzene
SMILESCC(OC/C=C/c1ccccc1)OC(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C32H22F34O2/c1-14(67-13-5-8-15-6-3-2-4-7-15)68-16(9-11-17(33,34)19(37,38)21(41,42)23(45,46)25(49,50)27(53,54)29(57,58)31(61,62)63)10-12-18(35,36)20(39,40)22(43,44)24(47,48)26(51,52)28(55,56)30(59,60)32(64,65)66/h2-8,14,16H,9-13H2,1H3/b8-5+
InChIKeyOGIFLWHLNWQMQE-VMPITWQZSA-N
XLogP15.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001084.46
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze [(E)-3-[1-(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosan-11-yloxy)ethoxy]prop-1-enyl]benzene 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 [(E)-3-[1-(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosan-11-yloxy)ethoxy]prop-1-enyl]benzene?
The IUPAC name of [(E)-3-[1-(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosan-11-yloxy)ethoxy]prop-1-enyl]benzene (CID 15444951) is [(E)-3-[1-(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosan-11-yloxy)ethoxy]prop-1-enyl]benzene.
What is the SMILES notation for [(E)-3-[1-(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosan-11-yloxy)ethoxy]prop-1-enyl]benzene?
The canonical SMILES for [(E)-3-[1-(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosan-11-yloxy)ethoxy]prop-1-enyl]benzene is CC(OC/C=C/c1ccccc1)OC(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of [(E)-3-[1-(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosan-11-yloxy)ethoxy]prop-1-enyl]benzene?
The InChIKey is OGIFLWHLNWQMQE-VMPITWQZSA-N. The full InChI is InChI=1S/C32H22F34O2/c1-14(67-13-5-8-15-6-3-2-4-7-15)68-16(9-11-17(33,34)19(37,38)21(41,42)23(45,46)25(49,50)27(53,54)29(57,58)31(61,62)63)10-12-18(35,36)20(39,40)22(43,44)24(47,48)26(51,52)28(55,56)30(59,60)32(64,65)66/h2-8,14,16H,9-13H2,1H3/b8-5+.
What are the key properties of [(E)-3-[1-(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosan-11-yloxy)ethoxy]prop-1-enyl]benzene?
[(E)-3-[1-(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosan-11-yloxy)ethoxy]prop-1-enyl]benzene has a molecular weight of 1084.46 g/mol, XLogP of 15.03, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[1-(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosan-11-yloxy)ethoxy]prop-1-enyl]benzene is sourced from PubChem (CID 15444951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).