1-methyl-2-(1,1,2,2-tetrafluoroethoxy)benzene

C9H8F4O — CID 2776650

IUPAC1-methyl-2-(1,1,2,2-tetrafluoroethoxy)benzene
SMILESCc1ccccc1OC(F)(F)C(F)F
InChIInChI=1S/C9H8F4O/c1-6-4-2-3-5-7(6)14-9(12,13)8(10)11/h2-5,8H,1H3
InChIKeyOHXFFMAUQJFAAF-UHFFFAOYSA-N
MW208.15 g/mol
LogP3.23
Rot. Bonds3

About 1-methyl-2-(1,1,2,2-tetrafluoroethoxy)benzene

1-methyl-2-(1,1,2,2-tetrafluoroethoxy)benzene (PubChem CID 2776650) has the molecular formula C9H8F4O and a molecular weight of 208.15 g/mol. Its IUPAC name is 1-methyl-2-(1,1,2,2-tetrafluoroethoxy)benzene.

Molecular Properties

Compound Name1-methyl-2-(1,1,2,2-tetrafluoroethoxy)benzene
PubChem CID2776650
Molecular FormulaC9H8F4O
Molecular Weight208.15 g/mol
Exact Mass208.05
IUPAC Name1-methyl-2-(1,1,2,2-tetrafluoroethoxy)benzene
SMILESCc1ccccc1OC(F)(F)C(F)F
InChIInChI=1S/C9H8F4O/c1-6-4-2-3-5-7(6)14-9(12,13)8(10)11/h2-5,8H,1H3
InChIKeyOHXFFMAUQJFAAF-UHFFFAOYSA-N
XLogP3.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1,1,2,2-tetrafluoroethoxy)benzene?
The IUPAC name of 1-methyl-2-(1,1,2,2-tetrafluoroethoxy)benzene (CID 2776650) is 1-methyl-2-(1,1,2,2-tetrafluoroethoxy)benzene.
What is the SMILES notation for 1-methyl-2-(1,1,2,2-tetrafluoroethoxy)benzene?
The canonical SMILES for 1-methyl-2-(1,1,2,2-tetrafluoroethoxy)benzene is Cc1ccccc1OC(F)(F)C(F)F.
What is the InChIKey of 1-methyl-2-(1,1,2,2-tetrafluoroethoxy)benzene?
The InChIKey is OHXFFMAUQJFAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O/c1-6-4-2-3-5-7(6)14-9(12,13)8(10)11/h2-5,8H,1H3.
What are the key properties of 1-methyl-2-(1,1,2,2-tetrafluoroethoxy)benzene?
1-methyl-2-(1,1,2,2-tetrafluoroethoxy)benzene has a molecular weight of 208.15 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1,1,2,2-tetrafluoroethoxy)benzene is sourced from PubChem (CID 2776650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).