1-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzene

C9H5ClF6O2 — CID 57288381

IUPAC1-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzene
SMILESFC(OC(F)(F)F)C(F)(F)Oc1ccc(Cl)cc1
InChIInChI=1S/C9H5ClF6O2/c10-5-1-3-6(4-2-5)17-8(12,13)7(11)18-9(14,15)16/h1-4,7H
InChIKeyWODCDYQWIBICPA-UHFFFAOYSA-N
MW294.58 g/mol
LogP4.14
Rot. Bonds4

About 1-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzene

1-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzene (PubChem CID 57288381) has the molecular formula C9H5ClF6O2 and a molecular weight of 294.58 g/mol. Its IUPAC name is 1-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzene.

Molecular Properties

Compound Name1-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzene
PubChem CID57288381
Molecular FormulaC9H5ClF6O2
Molecular Weight294.58 g/mol
Exact Mass293.99
IUPAC Name1-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzene
SMILESFC(OC(F)(F)F)C(F)(F)Oc1ccc(Cl)cc1
InChIInChI=1S/C9H5ClF6O2/c10-5-1-3-6(4-2-5)17-8(12,13)7(11)18-9(14,15)16/h1-4,7H
InChIKeyWODCDYQWIBICPA-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.58
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzene?
The IUPAC name of 1-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzene (CID 57288381) is 1-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzene.
What is the SMILES notation for 1-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzene?
The canonical SMILES for 1-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzene is FC(OC(F)(F)F)C(F)(F)Oc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzene?
The InChIKey is WODCDYQWIBICPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF6O2/c10-5-1-3-6(4-2-5)17-8(12,13)7(11)18-9(14,15)16/h1-4,7H.
What are the key properties of 1-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzene?
1-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzene has a molecular weight of 294.58 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzene is sourced from PubChem (CID 57288381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).