(E)-1,1,1,2,3,4,4,5,5-nonafluoropent-2-ene

C5HF9 — CID 11471944

IUPAC(E)-1,1,1,2,3,4,4,5,5-nonafluoropent-2-ene
SMILESF/C(=C(/F)C(F)(F)C(F)F)C(F)(F)F
InChIInChI=1S/C5HF9/c6-1(2(7)5(12,13)14)4(10,11)3(8)9/h3H/b2-1+
InChIKeyMRZSIBDWXMHMHF-OWOJBTEDSA-N
MW232.04 g/mol
LogP3.60
Rot. Bonds2

About (E)-1,1,1,2,3,4,4,5,5-nonafluoropent-2-ene

(E)-1,1,1,2,3,4,4,5,5-nonafluoropent-2-ene (PubChem CID 11471944) has the molecular formula C5HF9 and a molecular weight of 232.04 g/mol. Its IUPAC name is (E)-1,1,1,2,3,4,4,5,5-nonafluoropent-2-ene.

Molecular Properties

Compound Name(E)-1,1,1,2,3,4,4,5,5-nonafluoropent-2-ene
PubChem CID11471944
Molecular FormulaC5HF9
Molecular Weight232.04 g/mol
Exact Mass231.99
IUPAC Name(E)-1,1,1,2,3,4,4,5,5-nonafluoropent-2-ene
SMILESF/C(=C(/F)C(F)(F)C(F)F)C(F)(F)F
InChIInChI=1S/C5HF9/c6-1(2(7)5(12,13)14)4(10,11)3(8)9/h3H/b2-1+
InChIKeyMRZSIBDWXMHMHF-OWOJBTEDSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.04
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,2,3,4,4,5,5-nonafluoropent-2-ene?
The IUPAC name of (E)-1,1,1,2,3,4,4,5,5-nonafluoropent-2-ene (CID 11471944) is (E)-1,1,1,2,3,4,4,5,5-nonafluoropent-2-ene.
What is the SMILES notation for (E)-1,1,1,2,3,4,4,5,5-nonafluoropent-2-ene?
The canonical SMILES for (E)-1,1,1,2,3,4,4,5,5-nonafluoropent-2-ene is F/C(=C(/F)C(F)(F)C(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,2,3,4,4,5,5-nonafluoropent-2-ene?
The InChIKey is MRZSIBDWXMHMHF-OWOJBTEDSA-N. The full InChI is InChI=1S/C5HF9/c6-1(2(7)5(12,13)14)4(10,11)3(8)9/h3H/b2-1+.
What are the key properties of (E)-1,1,1,2,3,4,4,5,5-nonafluoropent-2-ene?
(E)-1,1,1,2,3,4,4,5,5-nonafluoropent-2-ene has a molecular weight of 232.04 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,2,3,4,4,5,5-nonafluoropent-2-ene is sourced from PubChem (CID 11471944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).