(3Z)-3-chloro-5,5,5-trifluoropenta-1,3-diene

C5H4ClF3 — CID 175310039

IUPAC(3Z)-3-chloro-5,5,5-trifluoropenta-1,3-diene
SMILESC=C/C(Cl)=C/C(F)(F)F
InChIInChI=1S/C5H4ClF3/c1-2-4(6)3-5(7,8)9/h2-3H,1H2/b4-3-
InChIKeyPLWNUPWURFVLSL-ARJAWSKDSA-N
MW156.53 g/mol
LogP2.86
Rot. Bonds1

About (3Z)-3-chloro-5,5,5-trifluoropenta-1,3-diene

(3Z)-3-chloro-5,5,5-trifluoropenta-1,3-diene (PubChem CID 175310039) has the molecular formula C5H4ClF3 and a molecular weight of 156.53 g/mol. Its IUPAC name is (3Z)-3-chloro-5,5,5-trifluoropenta-1,3-diene.

Molecular Properties

Compound Name(3Z)-3-chloro-5,5,5-trifluoropenta-1,3-diene
PubChem CID175310039
Molecular FormulaC5H4ClF3
Molecular Weight156.53 g/mol
Exact Mass156.00
IUPAC Name(3Z)-3-chloro-5,5,5-trifluoropenta-1,3-diene
SMILESC=C/C(Cl)=C/C(F)(F)F
InChIInChI=1S/C5H4ClF3/c1-2-4(6)3-5(7,8)9/h2-3H,1H2/b4-3-
InChIKeyPLWNUPWURFVLSL-ARJAWSKDSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.53
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-chloro-5,5,5-trifluoropenta-1,3-diene?
The IUPAC name of (3Z)-3-chloro-5,5,5-trifluoropenta-1,3-diene (CID 175310039) is (3Z)-3-chloro-5,5,5-trifluoropenta-1,3-diene.
What is the SMILES notation for (3Z)-3-chloro-5,5,5-trifluoropenta-1,3-diene?
The canonical SMILES for (3Z)-3-chloro-5,5,5-trifluoropenta-1,3-diene is C=C/C(Cl)=C/C(F)(F)F.
What is the InChIKey of (3Z)-3-chloro-5,5,5-trifluoropenta-1,3-diene?
The InChIKey is PLWNUPWURFVLSL-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H4ClF3/c1-2-4(6)3-5(7,8)9/h2-3H,1H2/b4-3-.
What are the key properties of (3Z)-3-chloro-5,5,5-trifluoropenta-1,3-diene?
(3Z)-3-chloro-5,5,5-trifluoropenta-1,3-diene has a molecular weight of 156.53 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-chloro-5,5,5-trifluoropenta-1,3-diene is sourced from PubChem (CID 175310039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).