1,2-dichloro-4-(difluoromethoxy)-3,5,6-trifluorobenzene

C7HCl2F5O — CID 118835991

IUPAC1,2-dichloro-4-(difluoromethoxy)-3,5,6-trifluorobenzene
SMILESFc1c(F)c(OC(F)F)c(F)c(Cl)c1Cl
InChIInChI=1S/C7HCl2F5O/c8-1-2(9)4(11)6(15-7(13)14)5(12)3(1)10/h7H
InChIKeyGCTXXNKOIRBOMK-UHFFFAOYSA-N
MW266.98 g/mol
LogP4.01
Rot. Bonds2

About 1,2-dichloro-4-(difluoromethoxy)-3,5,6-trifluorobenzene

1,2-dichloro-4-(difluoromethoxy)-3,5,6-trifluorobenzene (PubChem CID 118835991) has the molecular formula C7HCl2F5O and a molecular weight of 266.98 g/mol. Its IUPAC name is 1,2-dichloro-4-(difluoromethoxy)-3,5,6-trifluorobenzene.

Molecular Properties

Compound Name1,2-dichloro-4-(difluoromethoxy)-3,5,6-trifluorobenzene
PubChem CID118835991
Molecular FormulaC7HCl2F5O
Molecular Weight266.98 g/mol
Exact Mass265.93
IUPAC Name1,2-dichloro-4-(difluoromethoxy)-3,5,6-trifluorobenzene
SMILESFc1c(F)c(OC(F)F)c(F)c(Cl)c1Cl
InChIInChI=1S/C7HCl2F5O/c8-1-2(9)4(11)6(15-7(13)14)5(12)3(1)10/h7H
InChIKeyGCTXXNKOIRBOMK-UHFFFAOYSA-N
XLogP4.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.98
LogP ≤ 54.01
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-4-(difluoromethoxy)-3,5,6-trifluorobenzene?
The IUPAC name of 1,2-dichloro-4-(difluoromethoxy)-3,5,6-trifluorobenzene (CID 118835991) is 1,2-dichloro-4-(difluoromethoxy)-3,5,6-trifluorobenzene.
What is the SMILES notation for 1,2-dichloro-4-(difluoromethoxy)-3,5,6-trifluorobenzene?
The canonical SMILES for 1,2-dichloro-4-(difluoromethoxy)-3,5,6-trifluorobenzene is Fc1c(F)c(OC(F)F)c(F)c(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-4-(difluoromethoxy)-3,5,6-trifluorobenzene?
The InChIKey is GCTXXNKOIRBOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HCl2F5O/c8-1-2(9)4(11)6(15-7(13)14)5(12)3(1)10/h7H.
What are the key properties of 1,2-dichloro-4-(difluoromethoxy)-3,5,6-trifluorobenzene?
1,2-dichloro-4-(difluoromethoxy)-3,5,6-trifluorobenzene has a molecular weight of 266.98 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(difluoromethoxy)-3,5,6-trifluorobenzene is sourced from PubChem (CID 118835991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).