1-chloro-1,3,3-trifluoropropa-1,2-diene;1,4-dichloro-1,4-difluorobuta-1,3-diene

C7H2Cl3F5 — CID 87448139

IUPAC1-chloro-1,3,3-trifluoropropa-1,2-diene;1,4-dichloro-1,4-difluorobuta-1,3-diene
SMILESFC(Cl)=CC=C(F)Cl.FC(F)=C=C(F)Cl
InChIInChI=1S/C4H2Cl2F2.C3ClF3/c5-3(7)1-2-4(6)8;4-2(5)1-3(6)7/h1-2H;
InChIKeyIDPKHEKXJHFZQO-UHFFFAOYSA-N
MW287.44 g/mol
LogP5.50
Rot. Bonds1

About 1-chloro-1,3,3-trifluoropropa-1,2-diene;1,4-dichloro-1,4-difluorobuta-1,3-diene

1-chloro-1,3,3-trifluoropropa-1,2-diene;1,4-dichloro-1,4-difluorobuta-1,3-diene (PubChem CID 87448139) has the molecular formula C7H2Cl3F5 and a molecular weight of 287.44 g/mol. Its IUPAC name is 1-chloro-1,3,3-trifluoropropa-1,2-diene;1,4-dichloro-1,4-difluorobuta-1,3-diene.

Molecular Properties

Compound Name1-chloro-1,3,3-trifluoropropa-1,2-diene;1,4-dichloro-1,4-difluorobuta-1,3-diene
PubChem CID87448139
Molecular FormulaC7H2Cl3F5
Molecular Weight287.44 g/mol
Exact Mass285.91
IUPAC Name1-chloro-1,3,3-trifluoropropa-1,2-diene;1,4-dichloro-1,4-difluorobuta-1,3-diene
SMILESFC(Cl)=CC=C(F)Cl.FC(F)=C=C(F)Cl
InChIInChI=1S/C4H2Cl2F2.C3ClF3/c5-3(7)1-2-4(6)8;4-2(5)1-3(6)7/h1-2H;
InChIKeyIDPKHEKXJHFZQO-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.44
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-chloro-1,3,3-trifluoropropa-1,2-diene;1,4-dichloro-1,4-difluorobuta-1,3-diene with MolForge

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

Launch Full Analysis

Related Compounds

2-Chloro-1,1,1,4,4,4-hexafluoro-2-butene, (2Z)-
CID 5371687
1-Chloro-1,3,3,3-tetrafluoro-1-propene
CID 2782297
Propene, 3-chloro-1,1,3,3-tetrafluoro-
CID 521001
2-Chloro-1,1,1,4,4,4-hexafluoro-2-butene, (2E)-
CID 10878139
1-Chloro-1,2,2-trifluoroethene;1,1-difluoroethene;1,1,2,3,3,3-hexafluoroprop-1-ene
CID 168286
1,1,2-Trifluoro-3-chloro-1,3-butadiene
CID 55250302
1,1-Dichloroethene;1,1,2,3,3,3-hexafluoroprop-1-ene
CID 88157913
2-Chloro-1,1,1,4,4,4-hexafluoro-2-butene
CID 9815
1,2-Dichloro-1,1,4,4,4-pentafluoro-2-butene
CID 601620
2-Butene, 1,2-dichloro-1,1,4,4,4-pentafluoro-
CID 5374660
2-Chloro-1,1-difluorobuta-1,3-diene
CID 2773554
2-Chloro-1,1,1,4-tetrafluorobut-2-ene
CID 2773836

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,3,3-trifluoropropa-1,2-diene;1,4-dichloro-1,4-difluorobuta-1,3-diene?
The IUPAC name of 1-chloro-1,3,3-trifluoropropa-1,2-diene;1,4-dichloro-1,4-difluorobuta-1,3-diene (CID 87448139) is 1-chloro-1,3,3-trifluoropropa-1,2-diene;1,4-dichloro-1,4-difluorobuta-1,3-diene.
What is the SMILES notation for 1-chloro-1,3,3-trifluoropropa-1,2-diene;1,4-dichloro-1,4-difluorobuta-1,3-diene?
The canonical SMILES for 1-chloro-1,3,3-trifluoropropa-1,2-diene;1,4-dichloro-1,4-difluorobuta-1,3-diene is FC(Cl)=CC=C(F)Cl.FC(F)=C=C(F)Cl.
What is the InChIKey of 1-chloro-1,3,3-trifluoropropa-1,2-diene;1,4-dichloro-1,4-difluorobuta-1,3-diene?
The InChIKey is IDPKHEKXJHFZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2F2.C3ClF3/c5-3(7)1-2-4(6)8;4-2(5)1-3(6)7/h1-2H;.
What are the key properties of 1-chloro-1,3,3-trifluoropropa-1,2-diene;1,4-dichloro-1,4-difluorobuta-1,3-diene?
1-chloro-1,3,3-trifluoropropa-1,2-diene;1,4-dichloro-1,4-difluorobuta-1,3-diene has a molecular weight of 287.44 g/mol, XLogP of 5.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,3,3-trifluoropropa-1,2-diene;1,4-dichloro-1,4-difluorobuta-1,3-diene is sourced from PubChem (CID 87448139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).