7-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-4-(trifluoromethyl)-1-benzofuran-3-one

C13H7F7O3 — CID 134254632

IUPAC7-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-4-(trifluoromethyl)-1-benzofuran-3-one
SMILESO=C1c2c(C(F)(F)F)ccc(OC3CC(F)(F)C3)c2OC1(F)F
InChIInChI=1S/C13H7F7O3/c14-11(15)3-5(4-11)22-7-2-1-6(12(16,17)18)8-9(7)23-13(19,20)10(8)21/h1-2,5H,3-4H2
InChIKeyVLWPOQVQGJVSQO-UHFFFAOYSA-N
MW344.18 g/mol
LogP4.05
Rot. Bonds2

About 7-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-4-(trifluoromethyl)-1-benzofuran-3-one

7-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-4-(trifluoromethyl)-1-benzofuran-3-one (PubChem CID 134254632) has the molecular formula C13H7F7O3 and a molecular weight of 344.18 g/mol. Its IUPAC name is 7-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-4-(trifluoromethyl)-1-benzofuran-3-one.

Molecular Properties

Compound Name7-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-4-(trifluoromethyl)-1-benzofuran-3-one
PubChem CID134254632
Molecular FormulaC13H7F7O3
Molecular Weight344.18 g/mol
Exact Mass344.03
IUPAC Name7-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-4-(trifluoromethyl)-1-benzofuran-3-one
SMILESO=C1c2c(C(F)(F)F)ccc(OC3CC(F)(F)C3)c2OC1(F)F
InChIInChI=1S/C13H7F7O3/c14-11(15)3-5(4-11)22-7-2-1-6(12(16,17)18)8-9(7)23-13(19,20)10(8)21/h1-2,5H,3-4H2
InChIKeyVLWPOQVQGJVSQO-UHFFFAOYSA-N
XLogP4.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-4-(trifluoromethyl)-1-benzofuran-3-one?
The IUPAC name of 7-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-4-(trifluoromethyl)-1-benzofuran-3-one (CID 134254632) is 7-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-4-(trifluoromethyl)-1-benzofuran-3-one.
What is the SMILES notation for 7-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-4-(trifluoromethyl)-1-benzofuran-3-one?
The canonical SMILES for 7-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-4-(trifluoromethyl)-1-benzofuran-3-one is O=C1c2c(C(F)(F)F)ccc(OC3CC(F)(F)C3)c2OC1(F)F.
What is the InChIKey of 7-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-4-(trifluoromethyl)-1-benzofuran-3-one?
The InChIKey is VLWPOQVQGJVSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F7O3/c14-11(15)3-5(4-11)22-7-2-1-6(12(16,17)18)8-9(7)23-13(19,20)10(8)21/h1-2,5H,3-4H2.
What are the key properties of 7-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-4-(trifluoromethyl)-1-benzofuran-3-one?
7-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-4-(trifluoromethyl)-1-benzofuran-3-one has a molecular weight of 344.18 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-4-(trifluoromethyl)-1-benzofuran-3-one is sourced from PubChem (CID 134254632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).