(E)-1,1,4-trifluorobut-2-ene

C4H5F3 — CID 19763108

IUPAC(E)-1,1,4-trifluorobut-2-ene
SMILESFC/C=C/C(F)F
InChIInChI=1S/C4H5F3/c5-3-1-2-4(6)7/h1-2,4H,3H2/b2-1+
InChIKeyYUXNODKRNXNFFO-OWOJBTEDSA-N
MW110.08 g/mol
LogP1.78
Rot. Bonds2

About (E)-1,1,4-trifluorobut-2-ene

(E)-1,1,4-trifluorobut-2-ene (PubChem CID 19763108) has the molecular formula C4H5F3 and a molecular weight of 110.08 g/mol. Its IUPAC name is (E)-1,1,4-trifluorobut-2-ene.

Molecular Properties

Compound Name(E)-1,1,4-trifluorobut-2-ene
PubChem CID19763108
Molecular FormulaC4H5F3
Molecular Weight110.08 g/mol
Exact Mass110.03
IUPAC Name(E)-1,1,4-trifluorobut-2-ene
SMILESFC/C=C/C(F)F
InChIInChI=1S/C4H5F3/c5-3-1-2-4(6)7/h1-2,4H,3H2/b2-1+
InChIKeyYUXNODKRNXNFFO-OWOJBTEDSA-N
XLogP1.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.08
LogP ≤ 51.78
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)-1,1,4-trifluorobut-2-ene?
The IUPAC name of (E)-1,1,4-trifluorobut-2-ene (CID 19763108) is (E)-1,1,4-trifluorobut-2-ene.
What is the SMILES notation for (E)-1,1,4-trifluorobut-2-ene?
The canonical SMILES for (E)-1,1,4-trifluorobut-2-ene is FC/C=C/C(F)F.
What is the InChIKey of (E)-1,1,4-trifluorobut-2-ene?
The InChIKey is YUXNODKRNXNFFO-OWOJBTEDSA-N. The full InChI is InChI=1S/C4H5F3/c5-3-1-2-4(6)7/h1-2,4H,3H2/b2-1+.
What are the key properties of (E)-1,1,4-trifluorobut-2-ene?
(E)-1,1,4-trifluorobut-2-ene has a molecular weight of 110.08 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,4-trifluorobut-2-ene is sourced from PubChem (CID 19763108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).