1,3-dichloro-5-(2,2,3,3,3-pentafluoropropoxy)benzene

C9H5Cl2F5O — CID 91432208

IUPAC1,3-dichloro-5-(2,2,3,3,3-pentafluoropropoxy)benzene
SMILESFC(F)(F)C(F)(F)COc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H5Cl2F5O/c10-5-1-6(11)3-7(2-5)17-4-8(12,13)9(14,15)16/h1-3H,4H2
InChIKeyMMHLLQSOEUASIU-UHFFFAOYSA-N
MW295.03 g/mol
LogP4.57
Rot. Bonds3

About 1,3-dichloro-5-(2,2,3,3,3-pentafluoropropoxy)benzene

1,3-dichloro-5-(2,2,3,3,3-pentafluoropropoxy)benzene (PubChem CID 91432208) has the molecular formula C9H5Cl2F5O and a molecular weight of 295.03 g/mol. Its IUPAC name is 1,3-dichloro-5-(2,2,3,3,3-pentafluoropropoxy)benzene.

Molecular Properties

Compound Name1,3-dichloro-5-(2,2,3,3,3-pentafluoropropoxy)benzene
PubChem CID91432208
Molecular FormulaC9H5Cl2F5O
Molecular Weight295.03 g/mol
Exact Mass293.96
IUPAC Name1,3-dichloro-5-(2,2,3,3,3-pentafluoropropoxy)benzene
SMILESFC(F)(F)C(F)(F)COc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H5Cl2F5O/c10-5-1-6(11)3-7(2-5)17-4-8(12,13)9(14,15)16/h1-3H,4H2
InChIKeyMMHLLQSOEUASIU-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.03
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,3-dichloro-5-(2,2,3,3,3-pentafluoropropoxy)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-(2,2,3,3,3-pentafluoropropoxy)benzene?
The IUPAC name of 1,3-dichloro-5-(2,2,3,3,3-pentafluoropropoxy)benzene (CID 91432208) is 1,3-dichloro-5-(2,2,3,3,3-pentafluoropropoxy)benzene.
What is the SMILES notation for 1,3-dichloro-5-(2,2,3,3,3-pentafluoropropoxy)benzene?
The canonical SMILES for 1,3-dichloro-5-(2,2,3,3,3-pentafluoropropoxy)benzene is FC(F)(F)C(F)(F)COc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1,3-dichloro-5-(2,2,3,3,3-pentafluoropropoxy)benzene?
The InChIKey is MMHLLQSOEUASIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2F5O/c10-5-1-6(11)3-7(2-5)17-4-8(12,13)9(14,15)16/h1-3H,4H2.
What are the key properties of 1,3-dichloro-5-(2,2,3,3,3-pentafluoropropoxy)benzene?
1,3-dichloro-5-(2,2,3,3,3-pentafluoropropoxy)benzene has a molecular weight of 295.03 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-(2,2,3,3,3-pentafluoropropoxy)benzene is sourced from PubChem (CID 91432208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).