2,3,4,5-tetrafluoro-1-methoxycyclopenta-2,4-dien-1-ol

C6H4F4O2 — CID 14765647

IUPAC2,3,4,5-tetrafluoro-1-methoxycyclopenta-2,4-dien-1-ol
SMILESCOC1(O)C(F)=C(F)C(F)=C1F
InChIInChI=1S/C6H4F4O2/c1-12-6(11)4(9)2(7)3(8)5(6)10/h11H,1H3
InChIKeyYDOSMTZYVNHBCV-UHFFFAOYSA-N
MW184.09 g/mol
LogP1.64
Rot. Bonds1

About 2,3,4,5-tetrafluoro-1-methoxycyclopenta-2,4-dien-1-ol

2,3,4,5-tetrafluoro-1-methoxycyclopenta-2,4-dien-1-ol (PubChem CID 14765647) has the molecular formula C6H4F4O2 and a molecular weight of 184.09 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-1-methoxycyclopenta-2,4-dien-1-ol.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-1-methoxycyclopenta-2,4-dien-1-ol
PubChem CID14765647
Molecular FormulaC6H4F4O2
Molecular Weight184.09 g/mol
Exact Mass184.01
IUPAC Name2,3,4,5-tetrafluoro-1-methoxycyclopenta-2,4-dien-1-ol
SMILESCOC1(O)C(F)=C(F)C(F)=C1F
InChIInChI=1S/C6H4F4O2/c1-12-6(11)4(9)2(7)3(8)5(6)10/h11H,1H3
InChIKeyYDOSMTZYVNHBCV-UHFFFAOYSA-N
XLogP1.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.09
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-1-methoxycyclopenta-2,4-dien-1-ol?
The IUPAC name of 2,3,4,5-tetrafluoro-1-methoxycyclopenta-2,4-dien-1-ol (CID 14765647) is 2,3,4,5-tetrafluoro-1-methoxycyclopenta-2,4-dien-1-ol.
What is the SMILES notation for 2,3,4,5-tetrafluoro-1-methoxycyclopenta-2,4-dien-1-ol?
The canonical SMILES for 2,3,4,5-tetrafluoro-1-methoxycyclopenta-2,4-dien-1-ol is COC1(O)C(F)=C(F)C(F)=C1F.
What is the InChIKey of 2,3,4,5-tetrafluoro-1-methoxycyclopenta-2,4-dien-1-ol?
The InChIKey is YDOSMTZYVNHBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F4O2/c1-12-6(11)4(9)2(7)3(8)5(6)10/h11H,1H3.
What are the key properties of 2,3,4,5-tetrafluoro-1-methoxycyclopenta-2,4-dien-1-ol?
2,3,4,5-tetrafluoro-1-methoxycyclopenta-2,4-dien-1-ol has a molecular weight of 184.09 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-1-methoxycyclopenta-2,4-dien-1-ol is sourced from PubChem (CID 14765647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).