1,1,3,3,4-pentafluoro-2-benzofuran

C8H3F5O — CID 71358443

IUPAC1,1,3,3,4-pentafluoro-2-benzofuran
SMILESFc1cccc2c1C(F)(F)OC2(F)F
InChIInChI=1S/C8H3F5O/c9-5-3-1-2-4-6(5)8(12,13)14-7(4,10)11/h1-3H
InChIKeyBWPBPJUIVAVSLZ-UHFFFAOYSA-N
MW210.10 g/mol
LogP2.95
Rot. Bonds

About 1,1,3,3,4-pentafluoro-2-benzofuran

1,1,3,3,4-pentafluoro-2-benzofuran (PubChem CID 71358443) has the molecular formula C8H3F5O and a molecular weight of 210.10 g/mol. Its IUPAC name is 1,1,3,3,4-pentafluoro-2-benzofuran.

Molecular Properties

Compound Name1,1,3,3,4-pentafluoro-2-benzofuran
PubChem CID71358443
Molecular FormulaC8H3F5O
Molecular Weight210.10 g/mol
Exact Mass210.01
IUPAC Name1,1,3,3,4-pentafluoro-2-benzofuran
SMILESFc1cccc2c1C(F)(F)OC2(F)F
InChIInChI=1S/C8H3F5O/c9-5-3-1-2-4-6(5)8(12,13)14-7(4,10)11/h1-3H
InChIKeyBWPBPJUIVAVSLZ-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.10
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,4-pentafluoro-2-benzofuran?
The IUPAC name of 1,1,3,3,4-pentafluoro-2-benzofuran (CID 71358443) is 1,1,3,3,4-pentafluoro-2-benzofuran.
What is the SMILES notation for 1,1,3,3,4-pentafluoro-2-benzofuran?
The canonical SMILES for 1,1,3,3,4-pentafluoro-2-benzofuran is Fc1cccc2c1C(F)(F)OC2(F)F.
What is the InChIKey of 1,1,3,3,4-pentafluoro-2-benzofuran?
The InChIKey is BWPBPJUIVAVSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5O/c9-5-3-1-2-4-6(5)8(12,13)14-7(4,10)11/h1-3H.
What are the key properties of 1,1,3,3,4-pentafluoro-2-benzofuran?
1,1,3,3,4-pentafluoro-2-benzofuran has a molecular weight of 210.10 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,4-pentafluoro-2-benzofuran is sourced from PubChem (CID 71358443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).