1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)benzene

C9H4Cl2F6O — CID 11001479

IUPAC1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)benzene
SMILESFC(C(F)(F)F)C(F)(F)Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H4Cl2F6O/c10-4-1-2-5(11)6(3-4)18-9(16,17)7(12)8(13,14)15/h1-3,7H
InChIKeyYNXYLOSBSOCELW-UHFFFAOYSA-N
MW313.02 g/mol
LogP4.87
Rot. Bonds3

About 1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)benzene

1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)benzene (PubChem CID 11001479) has the molecular formula C9H4Cl2F6O and a molecular weight of 313.02 g/mol. Its IUPAC name is 1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)benzene.

Molecular Properties

Compound Name1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)benzene
PubChem CID11001479
Molecular FormulaC9H4Cl2F6O
Molecular Weight313.02 g/mol
Exact Mass311.95
IUPAC Name1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)benzene
SMILESFC(C(F)(F)F)C(F)(F)Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H4Cl2F6O/c10-4-1-2-5(11)6(3-4)18-9(16,17)7(12)8(13,14)15/h1-3,7H
InChIKeyYNXYLOSBSOCELW-UHFFFAOYSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.02
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)benzene?
The IUPAC name of 1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)benzene (CID 11001479) is 1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)benzene.
What is the SMILES notation for 1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)benzene?
The canonical SMILES for 1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)benzene is FC(C(F)(F)F)C(F)(F)Oc1cc(Cl)ccc1Cl.
What is the InChIKey of 1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)benzene?
The InChIKey is YNXYLOSBSOCELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2F6O/c10-4-1-2-5(11)6(3-4)18-9(16,17)7(12)8(13,14)15/h1-3,7H.
What are the key properties of 1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)benzene?
1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)benzene has a molecular weight of 313.02 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)benzene is sourced from PubChem (CID 11001479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).