2,3,4,5,6-pentafluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol

C6HF5O2 — CID 154636951

IUPAC2,3,4,5,6-pentafluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol
SMILESOC12OC1(F)C(F)=C(F)C(F)=C2F
InChIInChI=1S/C6HF5O2/c7-1-2(8)4(10)6(12)5(11,13-6)3(1)9/h12H
InChIKeyVXMYOURFVXJMMJ-UHFFFAOYSA-N
MW200.06 g/mol
LogP1.69
Rot. Bonds

About 2,3,4,5,6-pentafluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol

2,3,4,5,6-pentafluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol (PubChem CID 154636951) has the molecular formula C6HF5O2 and a molecular weight of 200.06 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol
PubChem CID154636951
Molecular FormulaC6HF5O2
Molecular Weight200.06 g/mol
Exact Mass199.99
IUPAC Name2,3,4,5,6-pentafluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol
SMILESOC12OC1(F)C(F)=C(F)C(F)=C2F
InChIInChI=1S/C6HF5O2/c7-1-2(8)4(10)6(12)5(11,13-6)3(1)9/h12H
InChIKeyVXMYOURFVXJMMJ-UHFFFAOYSA-N
XLogP1.69
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.06
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2,3,4,5,6-pentafluoro-7-oxabicyclo[4.1.0]hepta-2,4-diene
CID 91620439
1,2,3,4,5,6-hexafluorocyclohexa-2,4-dien-1-ol
CID 175095832
5-chloro-1,2,3,4,5-pentafluorocyclopenta-1,3-diene
CID 14024623
(2S,5R)-2,5-dibromo-2,3,4,5-tetrafluorofuran
CID 23235462
2,3,4,5-tetrafluoro-1-methoxycyclopenta-2,4-dien-1-ol
CID 14765647
1,2,3,4,5-pentafluoro-5-(1,2,2-trifluoroethenyl)cyclopenta-1,3-diene
CID 171853780
1,2,3,3,4,5,6,6-octafluorocyclohexa-1,4-diene
CID 12697770
3,4,5,6-tetrachloro-1,2,3,4,5,6-hexafluorocyclohexene
CID 175040926
(1Z,5Z)-1,2,3,3,4,4,5,6,7,7,8,8-dodecafluorocycloocta-1,5-diene;platinum
CID 87582607
2,2,4,5-tetrafluoro-3H-furan-3-ol
CID 174533615
2,3,4,5,6-pentafluoro-1-(1,2,2-trifluoroethenyl)cyclohexa-2,4-dien-1-ol
CID 87325926
(2,3,4,5,6-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)methanol
CID 70672909

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol?
The IUPAC name of 2,3,4,5,6-pentafluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol (CID 154636951) is 2,3,4,5,6-pentafluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol?
The canonical SMILES for 2,3,4,5,6-pentafluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol is OC12OC1(F)C(F)=C(F)C(F)=C2F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol?
The InChIKey is VXMYOURFVXJMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF5O2/c7-1-2(8)4(10)6(12)5(11,13-6)3(1)9/h12H.
What are the key properties of 2,3,4,5,6-pentafluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol?
2,3,4,5,6-pentafluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol has a molecular weight of 200.06 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol is sourced from PubChem (CID 154636951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).