1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene

C10H4F10O2 — CID 88857732

IUPAC1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
SMILESFCOC(F)(F)COc1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C10H4F10O2/c11-2-22-9(16,17)1-21-8-6(14)4(12)3(10(18,19)20)5(13)7(8)15/h1-2H2
InChIKeyYMJKQGUODHTOGU-UHFFFAOYSA-N
MW346.12 g/mol
LogP4.18
Rot. Bonds5

About 1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene

1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene (PubChem CID 88857732) has the molecular formula C10H4F10O2 and a molecular weight of 346.12 g/mol. Its IUPAC name is 1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
PubChem CID88857732
Molecular FormulaC10H4F10O2
Molecular Weight346.12 g/mol
Exact Mass346.01
IUPAC Name1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
SMILESFCOC(F)(F)COc1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C10H4F10O2/c11-2-22-9(16,17)1-21-8-6(14)4(12)3(10(18,19)20)5(13)7(8)15/h1-2H2
InChIKeyYMJKQGUODHTOGU-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.12
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene (CID 88857732) is 1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene is FCOC(F)(F)COc1c(F)c(F)c(C(F)(F)F)c(F)c1F.
What is the InChIKey of 1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene?
The InChIKey is YMJKQGUODHTOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F10O2/c11-2-22-9(16,17)1-21-8-6(14)4(12)3(10(18,19)20)5(13)7(8)15/h1-2H2.
What are the key properties of 1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene?
1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene has a molecular weight of 346.12 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene is sourced from PubChem (CID 88857732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).