(E)-1-chloro-5,5,5-trifluoropent-1-ene

C5H6ClF3 — CID 13379974

IUPAC(E)-1-chloro-5,5,5-trifluoropent-1-ene
SMILESFC(F)(F)CC/C=C/Cl
InChIInChI=1S/C5H6ClF3/c6-4-2-1-3-5(7,8)9/h2,4H,1,3H2/b4-2+
InChIKeyWJEZATWNARIUDX-DUXPYHPUSA-N
MW158.55 g/mol
LogP3.08
Rot. Bonds2

About (E)-1-chloro-5,5,5-trifluoropent-1-ene

(E)-1-chloro-5,5,5-trifluoropent-1-ene (PubChem CID 13379974) has the molecular formula C5H6ClF3 and a molecular weight of 158.55 g/mol. Its IUPAC name is (E)-1-chloro-5,5,5-trifluoropent-1-ene.

Molecular Properties

Compound Name(E)-1-chloro-5,5,5-trifluoropent-1-ene
PubChem CID13379974
Molecular FormulaC5H6ClF3
Molecular Weight158.55 g/mol
Exact Mass158.01
IUPAC Name(E)-1-chloro-5,5,5-trifluoropent-1-ene
SMILESFC(F)(F)CC/C=C/Cl
InChIInChI=1S/C5H6ClF3/c6-4-2-1-3-5(7,8)9/h2,4H,1,3H2/b4-2+
InChIKeyWJEZATWNARIUDX-DUXPYHPUSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.55
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (E)-1-chloro-5,5,5-trifluoropent-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-chloro-5,5,5-trifluoropent-1-ene?
The IUPAC name of (E)-1-chloro-5,5,5-trifluoropent-1-ene (CID 13379974) is (E)-1-chloro-5,5,5-trifluoropent-1-ene.
What is the SMILES notation for (E)-1-chloro-5,5,5-trifluoropent-1-ene?
The canonical SMILES for (E)-1-chloro-5,5,5-trifluoropent-1-ene is FC(F)(F)CC/C=C/Cl.
What is the InChIKey of (E)-1-chloro-5,5,5-trifluoropent-1-ene?
The InChIKey is WJEZATWNARIUDX-DUXPYHPUSA-N. The full InChI is InChI=1S/C5H6ClF3/c6-4-2-1-3-5(7,8)9/h2,4H,1,3H2/b4-2+.
What are the key properties of (E)-1-chloro-5,5,5-trifluoropent-1-ene?
(E)-1-chloro-5,5,5-trifluoropent-1-ene has a molecular weight of 158.55 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-5,5,5-trifluoropent-1-ene is sourced from PubChem (CID 13379974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).