1,2-dichloro-3,4,5-trifluoro-6-methoxybenzene

C7H3Cl2F3O — CID 130926131

IUPAC1,2-dichloro-3,4,5-trifluoro-6-methoxybenzene
SMILESCOc1c(F)c(F)c(F)c(Cl)c1Cl
InChIInChI=1S/C7H3Cl2F3O/c1-13-7-3(9)2(8)4(10)5(11)6(7)12/h1H3
InChIKeyFYLSCPZEHCVAMF-UHFFFAOYSA-N
MW231.00 g/mol
LogP3.42
Rot. Bonds1

About 1,2-dichloro-3,4,5-trifluoro-6-methoxybenzene

1,2-dichloro-3,4,5-trifluoro-6-methoxybenzene (PubChem CID 130926131) has the molecular formula C7H3Cl2F3O and a molecular weight of 231.00 g/mol. Its IUPAC name is 1,2-dichloro-3,4,5-trifluoro-6-methoxybenzene.

Molecular Properties

Compound Name1,2-dichloro-3,4,5-trifluoro-6-methoxybenzene
PubChem CID130926131
Molecular FormulaC7H3Cl2F3O
Molecular Weight231.00 g/mol
Exact Mass229.95
IUPAC Name1,2-dichloro-3,4,5-trifluoro-6-methoxybenzene
SMILESCOc1c(F)c(F)c(F)c(Cl)c1Cl
InChIInChI=1S/C7H3Cl2F3O/c1-13-7-3(9)2(8)4(10)5(11)6(7)12/h1H3
InChIKeyFYLSCPZEHCVAMF-UHFFFAOYSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.00
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3,4,5-trifluoro-6-methoxybenzene?
The IUPAC name of 1,2-dichloro-3,4,5-trifluoro-6-methoxybenzene (CID 130926131) is 1,2-dichloro-3,4,5-trifluoro-6-methoxybenzene.
What is the SMILES notation for 1,2-dichloro-3,4,5-trifluoro-6-methoxybenzene?
The canonical SMILES for 1,2-dichloro-3,4,5-trifluoro-6-methoxybenzene is COc1c(F)c(F)c(F)c(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3,4,5-trifluoro-6-methoxybenzene?
The InChIKey is FYLSCPZEHCVAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2F3O/c1-13-7-3(9)2(8)4(10)5(11)6(7)12/h1H3.
What are the key properties of 1,2-dichloro-3,4,5-trifluoro-6-methoxybenzene?
1,2-dichloro-3,4,5-trifluoro-6-methoxybenzene has a molecular weight of 231.00 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3,4,5-trifluoro-6-methoxybenzene is sourced from PubChem (CID 130926131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).