4-chloro-5,5,5-trifluoropenta-1,3-diene

C5H4ClF3 — CID 173215952

IUPAC4-chloro-5,5,5-trifluoropenta-1,3-diene
SMILESC=CC=C(Cl)C(F)(F)F
InChIInChI=1S/C5H4ClF3/c1-2-3-4(6)5(7,8)9/h2-3H,1H2
InChIKeyPTYITRMGOXBYGW-UHFFFAOYSA-N
MW156.53 g/mol
LogP2.86
Rot. Bonds1

About 4-chloro-5,5,5-trifluoropenta-1,3-diene

4-chloro-5,5,5-trifluoropenta-1,3-diene (PubChem CID 173215952) has the molecular formula C5H4ClF3 and a molecular weight of 156.53 g/mol. Its IUPAC name is 4-chloro-5,5,5-trifluoropenta-1,3-diene.

Molecular Properties

Compound Name4-chloro-5,5,5-trifluoropenta-1,3-diene
PubChem CID173215952
Molecular FormulaC5H4ClF3
Molecular Weight156.53 g/mol
Exact Mass156.00
IUPAC Name4-chloro-5,5,5-trifluoropenta-1,3-diene
SMILESC=CC=C(Cl)C(F)(F)F
InChIInChI=1S/C5H4ClF3/c1-2-3-4(6)5(7,8)9/h2-3H,1H2
InChIKeyPTYITRMGOXBYGW-UHFFFAOYSA-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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Related Compounds

5,5,5-Trifluoro-1,3-pentadiene
CID 11629600
(3E)-4-[chloro(difluoro)methyl]-5,5,5-trifluoropenta-1,3-diene
CID 22795721
5,5,5-Trifluoropenta-1,3-diene
CID 53806638
4-[Chloro(difluoro)methyl]-5,5,5-trifluoropenta-1,3-diene
CID 54428585
(2Z,4E)-3-chloro-1,1,1,6,6,6-hexafluorohexa-2,4-diene
CID 87105491
4-Chloro-4,4-difluoro-2-butene
CID 87207108
(3Z,5E)-6-chloro-7-fluorohepta-1,3,5-triene
CID 88068030
(3Z)-2-chloro-5-fluorohexa-1,3,5-triene
CID 88999368
(3Z,5E)-7,7,7-trifluorohepta-1,3,5-triene
CID 89130330
(1E,3E)-3-chloro-1-fluorohexa-1,3,5-triene
CID 89136276
4-Chloro-1-fluorocyclohepta-1,2,4,6-tetraene
CID 89136298
1-Chloro-1,1-difluorobut-2-ene
CID 90692851

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,5,5-trifluoropenta-1,3-diene?
The IUPAC name of 4-chloro-5,5,5-trifluoropenta-1,3-diene (CID 173215952) is 4-chloro-5,5,5-trifluoropenta-1,3-diene.
What is the SMILES notation for 4-chloro-5,5,5-trifluoropenta-1,3-diene?
The canonical SMILES for 4-chloro-5,5,5-trifluoropenta-1,3-diene is C=CC=C(Cl)C(F)(F)F.
What is the InChIKey of 4-chloro-5,5,5-trifluoropenta-1,3-diene?
The InChIKey is PTYITRMGOXBYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF3/c1-2-3-4(6)5(7,8)9/h2-3H,1H2.
What are the key properties of 4-chloro-5,5,5-trifluoropenta-1,3-diene?
4-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 4-chloro-5,5,5-trifluoropenta-1,3-diene is sourced from PubChem (CID 173215952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).