1,3-dichloro-5-(3,3,4,4,4-pentafluorobut-1-en-2-yl)benzene

C10H5Cl2F5 — CID 86685056

IUPAC1,3-dichloro-5-(3,3,4,4,4-pentafluorobut-1-en-2-yl)benzene
SMILESC=C(c1cc(Cl)cc(Cl)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H5Cl2F5/c1-5(9(13,14)10(15,16)17)6-2-7(11)4-8(12)3-6/h2-4H,1H2
InChIKeyQAMOBBJCMNXYEJ-UHFFFAOYSA-N
MW291.05 g/mol
LogP5.20
Rot. Bonds2

About 1,3-dichloro-5-(3,3,4,4,4-pentafluorobut-1-en-2-yl)benzene

1,3-dichloro-5-(3,3,4,4,4-pentafluorobut-1-en-2-yl)benzene (PubChem CID 86685056) has the molecular formula C10H5Cl2F5 and a molecular weight of 291.05 g/mol. Its IUPAC name is 1,3-dichloro-5-(3,3,4,4,4-pentafluorobut-1-en-2-yl)benzene.

Molecular Properties

Compound Name1,3-dichloro-5-(3,3,4,4,4-pentafluorobut-1-en-2-yl)benzene
PubChem CID86685056
Molecular FormulaC10H5Cl2F5
Molecular Weight291.05 g/mol
Exact Mass289.97
IUPAC Name1,3-dichloro-5-(3,3,4,4,4-pentafluorobut-1-en-2-yl)benzene
SMILESC=C(c1cc(Cl)cc(Cl)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H5Cl2F5/c1-5(9(13,14)10(15,16)17)6-2-7(11)4-8(12)3-6/h2-4H,1H2
InChIKeyQAMOBBJCMNXYEJ-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.05
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3-dichloro-5-(3,3,4,4,4-pentafluorobut-1-en-2-yl)benzene 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 1,3-dichloro-5-(3,3,4,4,4-pentafluorobut-1-en-2-yl)benzene?
The IUPAC name of 1,3-dichloro-5-(3,3,4,4,4-pentafluorobut-1-en-2-yl)benzene (CID 86685056) is 1,3-dichloro-5-(3,3,4,4,4-pentafluorobut-1-en-2-yl)benzene.
What is the SMILES notation for 1,3-dichloro-5-(3,3,4,4,4-pentafluorobut-1-en-2-yl)benzene?
The canonical SMILES for 1,3-dichloro-5-(3,3,4,4,4-pentafluorobut-1-en-2-yl)benzene is C=C(c1cc(Cl)cc(Cl)c1)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,3-dichloro-5-(3,3,4,4,4-pentafluorobut-1-en-2-yl)benzene?
The InChIKey is QAMOBBJCMNXYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2F5/c1-5(9(13,14)10(15,16)17)6-2-7(11)4-8(12)3-6/h2-4H,1H2.
What are the key properties of 1,3-dichloro-5-(3,3,4,4,4-pentafluorobut-1-en-2-yl)benzene?
1,3-dichloro-5-(3,3,4,4,4-pentafluorobut-1-en-2-yl)benzene has a molecular weight of 291.05 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-(3,3,4,4,4-pentafluorobut-1-en-2-yl)benzene is sourced from PubChem (CID 86685056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).