1,2-dichloro-5-fluoro-3-(trifluoromethyl)benzene

C7H2Cl2F4 — CID 119018682

IUPAC1,2-dichloro-5-fluoro-3-(trifluoromethyl)benzene
SMILESFc1cc(Cl)c(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C7H2Cl2F4/c8-5-2-3(10)1-4(6(5)9)7(11,12)13/h1-2H
InChIKeySXYPUXIFZGOMPP-UHFFFAOYSA-N
MW232.99 g/mol
LogP4.15
Rot. Bonds

About 1,2-dichloro-5-fluoro-3-(trifluoromethyl)benzene

1,2-dichloro-5-fluoro-3-(trifluoromethyl)benzene (PubChem CID 119018682) has the molecular formula C7H2Cl2F4 and a molecular weight of 232.99 g/mol. Its IUPAC name is 1,2-dichloro-5-fluoro-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-5-fluoro-3-(trifluoromethyl)benzene
PubChem CID119018682
Molecular FormulaC7H2Cl2F4
Molecular Weight232.99 g/mol
Exact Mass231.95
IUPAC Name1,2-dichloro-5-fluoro-3-(trifluoromethyl)benzene
SMILESFc1cc(Cl)c(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C7H2Cl2F4/c8-5-2-3(10)1-4(6(5)9)7(11,12)13/h1-2H
InChIKeySXYPUXIFZGOMPP-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.99
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-5-fluoro-3-(trifluoromethyl)benzene?
The IUPAC name of 1,2-dichloro-5-fluoro-3-(trifluoromethyl)benzene (CID 119018682) is 1,2-dichloro-5-fluoro-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1,2-dichloro-5-fluoro-3-(trifluoromethyl)benzene?
The canonical SMILES for 1,2-dichloro-5-fluoro-3-(trifluoromethyl)benzene is Fc1cc(Cl)c(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1,2-dichloro-5-fluoro-3-(trifluoromethyl)benzene?
The InChIKey is SXYPUXIFZGOMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2F4/c8-5-2-3(10)1-4(6(5)9)7(11,12)13/h1-2H.
What are the key properties of 1,2-dichloro-5-fluoro-3-(trifluoromethyl)benzene?
1,2-dichloro-5-fluoro-3-(trifluoromethyl)benzene has a molecular weight of 232.99 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-5-fluoro-3-(trifluoromethyl)benzene is sourced from PubChem (CID 119018682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).