(E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-methoxynon-2-ene

C10H7F13O — CID 10872828

IUPAC(E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-methoxynon-2-ene
SMILESCOC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H7F13O/c1-24-4-2-3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2-3H,4H2,1H3/b3-2+
InChIKeyDXFKJOBAOYHVSI-NSCUHMNNSA-N
MW390.14 g/mol
LogP4.93
Rot. Bonds7

About (E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-methoxynon-2-ene

(E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-methoxynon-2-ene (PubChem CID 10872828) has the molecular formula C10H7F13O and a molecular weight of 390.14 g/mol. Its IUPAC name is (E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-methoxynon-2-ene.

Molecular Properties

Compound Name(E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-methoxynon-2-ene
PubChem CID10872828
Molecular FormulaC10H7F13O
Molecular Weight390.14 g/mol
Exact Mass390.03
IUPAC Name(E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-methoxynon-2-ene
SMILESCOC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H7F13O/c1-24-4-2-3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2-3H,4H2,1H3/b3-2+
InChIKeyDXFKJOBAOYHVSI-NSCUHMNNSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.14
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-methoxynon-2-ene 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)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-methoxynon-2-ene?
The IUPAC name of (E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-methoxynon-2-ene (CID 10872828) is (E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-methoxynon-2-ene.
What is the SMILES notation for (E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-methoxynon-2-ene?
The canonical SMILES for (E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-methoxynon-2-ene is COC/C=C/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)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-methoxynon-2-ene?
The InChIKey is DXFKJOBAOYHVSI-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H7F13O/c1-24-4-2-3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2-3H,4H2,1H3/b3-2+.
What are the key properties of (E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-methoxynon-2-ene?
(E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-methoxynon-2-ene has a molecular weight of 390.14 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-methoxynon-2-ene is sourced from PubChem (CID 10872828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).