2,3,4,5-tetrafluorocyclohexa-1,5-diene-1,4-diol

C6H4F4O2 — CID 89420440

IUPAC2,3,4,5-tetrafluorocyclohexa-1,5-diene-1,4-diol
SMILESOC1=C(F)C(F)C(O)(F)C(F)=C1
InChIInChI=1S/C6H4F4O2/c7-3-1-2(11)4(8)5(9)6(3,10)12/h1,5,11-12H
InChIKeyMNATVIDWTWSCKT-UHFFFAOYSA-N
MW184.09 g/mol
LogP1.59
Rot. Bonds

About 2,3,4,5-tetrafluorocyclohexa-1,5-diene-1,4-diol

2,3,4,5-tetrafluorocyclohexa-1,5-diene-1,4-diol (PubChem CID 89420440) has the molecular formula C6H4F4O2 and a molecular weight of 184.09 g/mol. Its IUPAC name is 2,3,4,5-tetrafluorocyclohexa-1,5-diene-1,4-diol.

Molecular Properties

Compound Name2,3,4,5-tetrafluorocyclohexa-1,5-diene-1,4-diol
PubChem CID89420440
Molecular FormulaC6H4F4O2
Molecular Weight184.09 g/mol
Exact Mass184.01
IUPAC Name2,3,4,5-tetrafluorocyclohexa-1,5-diene-1,4-diol
SMILESOC1=C(F)C(F)C(O)(F)C(F)=C1
InChIInChI=1S/C6H4F4O2/c7-3-1-2(11)4(8)5(9)6(3,10)12/h1,5,11-12H
InChIKeyMNATVIDWTWSCKT-UHFFFAOYSA-N
XLogP1.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.09
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4,5,6-hexafluorocyclohexa-2,4-dien-1-ol
CID 175095832
2,2,4,4,6,6,8,8,9,10-decafluoroadamantane-1,3,5,7-tetrol
CID 89354579
rutherfordium;2,2,3-trifluorocyclopropan-1-ol
CID 59685229
1,3,4,4,5,5,6,6-octafluorocyclohexene
CID 87447762
5,5-diamino-3,4,6-trifluorocyclohexa-1,3-dien-1-ol
CID 151935174
2,2,3,6,6,7-hexafluoronaphthalene
CID 162536554
2,2,4,4,6,6,8,8,9,9,10-undecafluoroadamantane-1,3,5,7-tetrol
CID 89354580
2,3,4,5,6-pentafluoro-4-(1,2,3,5,6-pentafluoro-4-hydroxycyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,5-dien-1-ol
CID 175402832
2,2,4,5-tetrafluoro-3H-furan-3-ol
CID 174533615
(4R)-1,3,3,4,5,5-hexafluorocyclopentene
CID 23235244
3,5,6-trifluoro-5-hydroxycyclohexa-1,3-diene-1,2-dicarboxylic acid
CID 67647570
4,5-difluoro-3-(trifluoromethyl)-5H-cyclopenta[c]pyrazol-4-ol
CID 170159447

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluorocyclohexa-1,5-diene-1,4-diol?
The IUPAC name of 2,3,4,5-tetrafluorocyclohexa-1,5-diene-1,4-diol (CID 89420440) is 2,3,4,5-tetrafluorocyclohexa-1,5-diene-1,4-diol.
What is the SMILES notation for 2,3,4,5-tetrafluorocyclohexa-1,5-diene-1,4-diol?
The canonical SMILES for 2,3,4,5-tetrafluorocyclohexa-1,5-diene-1,4-diol is OC1=C(F)C(F)C(O)(F)C(F)=C1.
What is the InChIKey of 2,3,4,5-tetrafluorocyclohexa-1,5-diene-1,4-diol?
The InChIKey is MNATVIDWTWSCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F4O2/c7-3-1-2(11)4(8)5(9)6(3,10)12/h1,5,11-12H.
What are the key properties of 2,3,4,5-tetrafluorocyclohexa-1,5-diene-1,4-diol?
2,3,4,5-tetrafluorocyclohexa-1,5-diene-1,4-diol has a molecular weight of 184.09 g/mol, XLogP of 1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluorocyclohexa-1,5-diene-1,4-diol is sourced from PubChem (CID 89420440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).