1-cyclopenta-2,4-dien-1-yl-2,3,4,5-tetrafluoro-6-methoxybenzene

C12H8F4O — CID 11987389

IUPAC1-cyclopenta-2,4-dien-1-yl-2,3,4,5-tetrafluoro-6-methoxybenzene
SMILESCOc1c(F)c(F)c(F)c(F)c1C1C=CC=C1
InChIInChI=1S/C12H8F4O/c1-17-12-7(6-4-2-3-5-6)8(13)9(14)10(15)11(12)16/h2-6H,1H3
InChIKeyBNDMENFQMSGDHC-UHFFFAOYSA-N
MW244.19 g/mol
LogP3.46
Rot. Bonds2

About 1-cyclopenta-2,4-dien-1-yl-2,3,4,5-tetrafluoro-6-methoxybenzene

1-cyclopenta-2,4-dien-1-yl-2,3,4,5-tetrafluoro-6-methoxybenzene (PubChem CID 11987389) has the molecular formula C12H8F4O and a molecular weight of 244.19 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-yl-2,3,4,5-tetrafluoro-6-methoxybenzene.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-yl-2,3,4,5-tetrafluoro-6-methoxybenzene
PubChem CID11987389
Molecular FormulaC12H8F4O
Molecular Weight244.19 g/mol
Exact Mass244.05
IUPAC Name1-cyclopenta-2,4-dien-1-yl-2,3,4,5-tetrafluoro-6-methoxybenzene
SMILESCOc1c(F)c(F)c(F)c(F)c1C1C=CC=C1
InChIInChI=1S/C12H8F4O/c1-17-12-7(6-4-2-3-5-6)8(13)9(14)10(15)11(12)16/h2-6H,1H3
InChIKeyBNDMENFQMSGDHC-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-yl-2,3,4,5-tetrafluoro-6-methoxybenzene?
The IUPAC name of 1-cyclopenta-2,4-dien-1-yl-2,3,4,5-tetrafluoro-6-methoxybenzene (CID 11987389) is 1-cyclopenta-2,4-dien-1-yl-2,3,4,5-tetrafluoro-6-methoxybenzene.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-yl-2,3,4,5-tetrafluoro-6-methoxybenzene?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-yl-2,3,4,5-tetrafluoro-6-methoxybenzene is COc1c(F)c(F)c(F)c(F)c1C1C=CC=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-yl-2,3,4,5-tetrafluoro-6-methoxybenzene?
The InChIKey is BNDMENFQMSGDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4O/c1-17-12-7(6-4-2-3-5-6)8(13)9(14)10(15)11(12)16/h2-6H,1H3.
What are the key properties of 1-cyclopenta-2,4-dien-1-yl-2,3,4,5-tetrafluoro-6-methoxybenzene?
1-cyclopenta-2,4-dien-1-yl-2,3,4,5-tetrafluoro-6-methoxybenzene has a molecular weight of 244.19 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-yl-2,3,4,5-tetrafluoro-6-methoxybenzene is sourced from PubChem (CID 11987389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).