(E)-1,1,1-trifluoronon-2-ene

C9H15F3 — CID 10654957

IUPAC(E)-1,1,1-trifluoronon-2-ene
SMILESCCCCCC/C=C/C(F)(F)F
InChIInChI=1S/C9H15F3/c1-2-3-4-5-6-7-8-9(10,11)12/h7-8H,2-6H2,1H3/b8-7+
InChIKeyIGFROWMWDMZLTQ-BQYQJAHWSA-N
MW180.21 g/mol
LogP4.08
Rot. Bonds5

About (E)-1,1,1-trifluoronon-2-ene

(E)-1,1,1-trifluoronon-2-ene (PubChem CID 10654957) has the molecular formula C9H15F3 and a molecular weight of 180.21 g/mol. Its IUPAC name is (E)-1,1,1-trifluoronon-2-ene.

Molecular Properties

Compound Name(E)-1,1,1-trifluoronon-2-ene
PubChem CID10654957
Molecular FormulaC9H15F3
Molecular Weight180.21 g/mol
Exact Mass180.11
IUPAC Name(E)-1,1,1-trifluoronon-2-ene
SMILESCCCCCC/C=C/C(F)(F)F
InChIInChI=1S/C9H15F3/c1-2-3-4-5-6-7-8-9(10,11)12/h7-8H,2-6H2,1H3/b8-7+
InChIKeyIGFROWMWDMZLTQ-BQYQJAHWSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoronon-2-ene?
The IUPAC name of (E)-1,1,1-trifluoronon-2-ene (CID 10654957) is (E)-1,1,1-trifluoronon-2-ene.
What is the SMILES notation for (E)-1,1,1-trifluoronon-2-ene?
The canonical SMILES for (E)-1,1,1-trifluoronon-2-ene is CCCCCC/C=C/C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoronon-2-ene?
The InChIKey is IGFROWMWDMZLTQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H15F3/c1-2-3-4-5-6-7-8-9(10,11)12/h7-8H,2-6H2,1H3/b8-7+.
What are the key properties of (E)-1,1,1-trifluoronon-2-ene?
(E)-1,1,1-trifluoronon-2-ene has a molecular weight of 180.21 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoronon-2-ene is sourced from PubChem (CID 10654957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).