4-(2-fluorocyclopropyl)-2-methyl-1-benzofuran;methanol

C13H15FO2 — CID 174429447

IUPAC4-(2-fluorocyclopropyl)-2-methyl-1-benzofuran;methanol
SMILESCO.Cc1cc2c(C3CC3F)cccc2o1
InChIInChI=1S/C12H11FO.CH4O/c1-7-5-10-8(9-6-11(9)13)3-2-4-12(10)14-7;1-2/h2-5,9,11H,6H2,1H3;2H,1H3
InChIKeyQFBTXPKHULDKRR-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.18
Rot. Bonds1

About 4-(2-fluorocyclopropyl)-2-methyl-1-benzofuran;methanol

4-(2-fluorocyclopropyl)-2-methyl-1-benzofuran;methanol (PubChem CID 174429447) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is 4-(2-fluorocyclopropyl)-2-methyl-1-benzofuran;methanol.

Molecular Properties

Compound Name4-(2-fluorocyclopropyl)-2-methyl-1-benzofuran;methanol
PubChem CID174429447
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name4-(2-fluorocyclopropyl)-2-methyl-1-benzofuran;methanol
SMILESCO.Cc1cc2c(C3CC3F)cccc2o1
InChIInChI=1S/C12H11FO.CH4O/c1-7-5-10-8(9-6-11(9)13)3-2-4-12(10)14-7;1-2/h2-5,9,11H,6H2,1H3;2H,1H3
InChIKeyQFBTXPKHULDKRR-UHFFFAOYSA-N
XLogP3.18
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorocyclopropyl)-2-methyl-1-benzofuran;methanol?
The IUPAC name of 4-(2-fluorocyclopropyl)-2-methyl-1-benzofuran;methanol (CID 174429447) is 4-(2-fluorocyclopropyl)-2-methyl-1-benzofuran;methanol.
What is the SMILES notation for 4-(2-fluorocyclopropyl)-2-methyl-1-benzofuran;methanol?
The canonical SMILES for 4-(2-fluorocyclopropyl)-2-methyl-1-benzofuran;methanol is CO.Cc1cc2c(C3CC3F)cccc2o1.
What is the InChIKey of 4-(2-fluorocyclopropyl)-2-methyl-1-benzofuran;methanol?
The InChIKey is QFBTXPKHULDKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO.CH4O/c1-7-5-10-8(9-6-11(9)13)3-2-4-12(10)14-7;1-2/h2-5,9,11H,6H2,1H3;2H,1H3.
What are the key properties of 4-(2-fluorocyclopropyl)-2-methyl-1-benzofuran;methanol?
4-(2-fluorocyclopropyl)-2-methyl-1-benzofuran;methanol has a molecular weight of 222.26 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorocyclopropyl)-2-methyl-1-benzofuran;methanol is sourced from PubChem (CID 174429447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).