fluoro 1,2,3,4,5,6-hexafluorocyclohexa-2,4-diene-1-carboxylate

C7HF7O2 — CID 88640494

IUPACfluoro 1,2,3,4,5,6-hexafluorocyclohexa-2,4-diene-1-carboxylate
SMILESO=C(OF)C1(F)C(F)=C(F)C(F)=C(F)C1F
InChIInChI=1S/C7HF7O2/c8-1-2(9)4(11)7(13,6(15)16-14)5(12)3(1)10/h4H
InChIKeyGWTZURNIKSMPRV-UHFFFAOYSA-N
MW250.07 g/mol
LogP2.78
Rot. Bonds1

About fluoro 1,2,3,4,5,6-hexafluorocyclohexa-2,4-diene-1-carboxylate

fluoro 1,2,3,4,5,6-hexafluorocyclohexa-2,4-diene-1-carboxylate (PubChem CID 88640494) has the molecular formula C7HF7O2 and a molecular weight of 250.07 g/mol. Its IUPAC name is fluoro 1,2,3,4,5,6-hexafluorocyclohexa-2,4-diene-1-carboxylate.

Molecular Properties

Compound Namefluoro 1,2,3,4,5,6-hexafluorocyclohexa-2,4-diene-1-carboxylate
PubChem CID88640494
Molecular FormulaC7HF7O2
Molecular Weight250.07 g/mol
Exact Mass249.99
IUPAC Namefluoro 1,2,3,4,5,6-hexafluorocyclohexa-2,4-diene-1-carboxylate
SMILESO=C(OF)C1(F)C(F)=C(F)C(F)=C(F)C1F
InChIInChI=1S/C7HF7O2/c8-1-2(9)4(11)7(13,6(15)16-14)5(12)3(1)10/h4H
InChIKeyGWTZURNIKSMPRV-UHFFFAOYSA-N
XLogP2.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.07
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of fluoro 1,2,3,4,5,6-hexafluorocyclohexa-2,4-diene-1-carboxylate?
The IUPAC name of fluoro 1,2,3,4,5,6-hexafluorocyclohexa-2,4-diene-1-carboxylate (CID 88640494) is fluoro 1,2,3,4,5,6-hexafluorocyclohexa-2,4-diene-1-carboxylate.
What is the SMILES notation for fluoro 1,2,3,4,5,6-hexafluorocyclohexa-2,4-diene-1-carboxylate?
The canonical SMILES for fluoro 1,2,3,4,5,6-hexafluorocyclohexa-2,4-diene-1-carboxylate is O=C(OF)C1(F)C(F)=C(F)C(F)=C(F)C1F.
What is the InChIKey of fluoro 1,2,3,4,5,6-hexafluorocyclohexa-2,4-diene-1-carboxylate?
The InChIKey is GWTZURNIKSMPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF7O2/c8-1-2(9)4(11)7(13,6(15)16-14)5(12)3(1)10/h4H.
What are the key properties of fluoro 1,2,3,4,5,6-hexafluorocyclohexa-2,4-diene-1-carboxylate?
fluoro 1,2,3,4,5,6-hexafluorocyclohexa-2,4-diene-1-carboxylate has a molecular weight of 250.07 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 1,2,3,4,5,6-hexafluorocyclohexa-2,4-diene-1-carboxylate is sourced from PubChem (CID 88640494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).