(E)-5,5,5-trifluoro-4,4-bis(trifluoromethyl)pent-2-ene

C7H5F9 — CID 23236402

IUPAC(E)-5,5,5-trifluoro-4,4-bis(trifluoromethyl)pent-2-ene
SMILESC/C=C/C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F9/c1-2-3-4(5(8,9)10,6(11,12)13)7(14,15)16/h2-3H,1H3/b3-2+
InChIKeyDQEJIVNNBISIKV-NSCUHMNNSA-N
MW260.10 g/mol
LogP4.24
Rot. Bonds1

About (E)-5,5,5-trifluoro-4,4-bis(trifluoromethyl)pent-2-ene

(E)-5,5,5-trifluoro-4,4-bis(trifluoromethyl)pent-2-ene (PubChem CID 23236402) has the molecular formula C7H5F9 and a molecular weight of 260.10 g/mol. Its IUPAC name is (E)-5,5,5-trifluoro-4,4-bis(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name(E)-5,5,5-trifluoro-4,4-bis(trifluoromethyl)pent-2-ene
PubChem CID23236402
Molecular FormulaC7H5F9
Molecular Weight260.10 g/mol
Exact Mass260.02
IUPAC Name(E)-5,5,5-trifluoro-4,4-bis(trifluoromethyl)pent-2-ene
SMILESC/C=C/C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F9/c1-2-3-4(5(8,9)10,6(11,12)13)7(14,15)16/h2-3H,1H3/b3-2+
InChIKeyDQEJIVNNBISIKV-NSCUHMNNSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.10
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5,5,5-trifluoro-4,4-bis(trifluoromethyl)pent-2-ene?
The IUPAC name of (E)-5,5,5-trifluoro-4,4-bis(trifluoromethyl)pent-2-ene (CID 23236402) is (E)-5,5,5-trifluoro-4,4-bis(trifluoromethyl)pent-2-ene.
What is the SMILES notation for (E)-5,5,5-trifluoro-4,4-bis(trifluoromethyl)pent-2-ene?
The canonical SMILES for (E)-5,5,5-trifluoro-4,4-bis(trifluoromethyl)pent-2-ene is C/C=C/C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-5,5,5-trifluoro-4,4-bis(trifluoromethyl)pent-2-ene?
The InChIKey is DQEJIVNNBISIKV-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H5F9/c1-2-3-4(5(8,9)10,6(11,12)13)7(14,15)16/h2-3H,1H3/b3-2+.
What are the key properties of (E)-5,5,5-trifluoro-4,4-bis(trifluoromethyl)pent-2-ene?
(E)-5,5,5-trifluoro-4,4-bis(trifluoromethyl)pent-2-ene has a molecular weight of 260.10 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5,5-trifluoro-4,4-bis(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 23236402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).