(E)-1,2-difluoro-9-[(2-methylpropan-2-yl)oxy]non-1-ene

C13H24F2O — CID 134894285

IUPAC(E)-1,2-difluoro-9-[(2-methylpropan-2-yl)oxy]non-1-ene
SMILESCC(C)(C)OCCCCCCC/C(F)=C\F
InChIInChI=1S/C13H24F2O/c1-13(2,3)16-10-8-6-4-5-7-9-12(15)11-14/h11H,4-10H2,1-3H3/b12-11+
InChIKeyBBUUALVHBINIJO-VAWYXSNFSA-N
MW234.33 g/mol
LogP4.92
Rot. Bonds8

About (E)-1,2-difluoro-9-[(2-methylpropan-2-yl)oxy]non-1-ene

(E)-1,2-difluoro-9-[(2-methylpropan-2-yl)oxy]non-1-ene (PubChem CID 134894285) has the molecular formula C13H24F2O and a molecular weight of 234.33 g/mol. Its IUPAC name is (E)-1,2-difluoro-9-[(2-methylpropan-2-yl)oxy]non-1-ene.

Molecular Properties

Compound Name(E)-1,2-difluoro-9-[(2-methylpropan-2-yl)oxy]non-1-ene
PubChem CID134894285
Molecular FormulaC13H24F2O
Molecular Weight234.33 g/mol
Exact Mass234.18
IUPAC Name(E)-1,2-difluoro-9-[(2-methylpropan-2-yl)oxy]non-1-ene
SMILESCC(C)(C)OCCCCCCC/C(F)=C\F
InChIInChI=1S/C13H24F2O/c1-13(2,3)16-10-8-6-4-5-7-9-12(15)11-14/h11H,4-10H2,1-3H3/b12-11+
InChIKeyBBUUALVHBINIJO-VAWYXSNFSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1,2-difluoro-9-[(2-methylpropan-2-yl)oxy]non-1-ene?
The IUPAC name of (E)-1,2-difluoro-9-[(2-methylpropan-2-yl)oxy]non-1-ene (CID 134894285) is (E)-1,2-difluoro-9-[(2-methylpropan-2-yl)oxy]non-1-ene.
What is the SMILES notation for (E)-1,2-difluoro-9-[(2-methylpropan-2-yl)oxy]non-1-ene?
The canonical SMILES for (E)-1,2-difluoro-9-[(2-methylpropan-2-yl)oxy]non-1-ene is CC(C)(C)OCCCCCCC/C(F)=C\F.
What is the InChIKey of (E)-1,2-difluoro-9-[(2-methylpropan-2-yl)oxy]non-1-ene?
The InChIKey is BBUUALVHBINIJO-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H24F2O/c1-13(2,3)16-10-8-6-4-5-7-9-12(15)11-14/h11H,4-10H2,1-3H3/b12-11+.
What are the key properties of (E)-1,2-difluoro-9-[(2-methylpropan-2-yl)oxy]non-1-ene?
(E)-1,2-difluoro-9-[(2-methylpropan-2-yl)oxy]non-1-ene has a molecular weight of 234.33 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-difluoro-9-[(2-methylpropan-2-yl)oxy]non-1-ene is sourced from PubChem (CID 134894285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).