1-ethenyl-2,3,5,6-tetrafluoro-4-methoxybenzene

C9H6F4O — CID 71669119

IUPAC1-ethenyl-2,3,5,6-tetrafluoro-4-methoxybenzene
SMILESC=Cc1c(F)c(F)c(OC)c(F)c1F
InChIInChI=1S/C9H6F4O/c1-3-4-5(10)7(12)9(14-2)8(13)6(4)11/h3H,1H2,2H3
InChIKeyTXDDBHZHCZRAJT-UHFFFAOYSA-N
MW206.14 g/mol
LogP2.89
Rot. Bonds2

About 1-ethenyl-2,3,5,6-tetrafluoro-4-methoxybenzene

1-ethenyl-2,3,5,6-tetrafluoro-4-methoxybenzene (PubChem CID 71669119) has the molecular formula C9H6F4O and a molecular weight of 206.14 g/mol. Its IUPAC name is 1-ethenyl-2,3,5,6-tetrafluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-ethenyl-2,3,5,6-tetrafluoro-4-methoxybenzene
PubChem CID71669119
Molecular FormulaC9H6F4O
Molecular Weight206.14 g/mol
Exact Mass206.04
IUPAC Name1-ethenyl-2,3,5,6-tetrafluoro-4-methoxybenzene
SMILESC=Cc1c(F)c(F)c(OC)c(F)c1F
InChIInChI=1S/C9H6F4O/c1-3-4-5(10)7(12)9(14-2)8(13)6(4)11/h3H,1H2,2H3
InChIKeyTXDDBHZHCZRAJT-UHFFFAOYSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.14
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-ethenyl-2,3,5,6-tetrafluoro-4-methoxybenzene?
The IUPAC name of 1-ethenyl-2,3,5,6-tetrafluoro-4-methoxybenzene (CID 71669119) is 1-ethenyl-2,3,5,6-tetrafluoro-4-methoxybenzene.
What is the SMILES notation for 1-ethenyl-2,3,5,6-tetrafluoro-4-methoxybenzene?
The canonical SMILES for 1-ethenyl-2,3,5,6-tetrafluoro-4-methoxybenzene is C=Cc1c(F)c(F)c(OC)c(F)c1F.
What is the InChIKey of 1-ethenyl-2,3,5,6-tetrafluoro-4-methoxybenzene?
The InChIKey is TXDDBHZHCZRAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4O/c1-3-4-5(10)7(12)9(14-2)8(13)6(4)11/h3H,1H2,2H3.
What are the key properties of 1-ethenyl-2,3,5,6-tetrafluoro-4-methoxybenzene?
1-ethenyl-2,3,5,6-tetrafluoro-4-methoxybenzene has a molecular weight of 206.14 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2,3,5,6-tetrafluoro-4-methoxybenzene is sourced from PubChem (CID 71669119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).