3-butyl-2-fluoro-1-benzofuran

C12H13FO — CID 11041601

IUPAC3-butyl-2-fluoro-1-benzofuran
SMILESCCCCc1c(F)oc2ccccc12
InChIInChI=1S/C12H13FO/c1-2-3-6-10-9-7-4-5-8-11(9)14-12(10)13/h4-5,7-8H,2-3,6H2,1H3
InChIKeyUEIZMIGCYPAKSM-UHFFFAOYSA-N
MW192.23 g/mol
LogP3.91
Rot. Bonds3

About 3-butyl-2-fluoro-1-benzofuran

3-butyl-2-fluoro-1-benzofuran (PubChem CID 11041601) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 3-butyl-2-fluoro-1-benzofuran.

Molecular Properties

Compound Name3-butyl-2-fluoro-1-benzofuran
PubChem CID11041601
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name3-butyl-2-fluoro-1-benzofuran
SMILESCCCCc1c(F)oc2ccccc12
InChIInChI=1S/C12H13FO/c1-2-3-6-10-9-7-4-5-8-11(9)14-12(10)13/h4-5,7-8H,2-3,6H2,1H3
InChIKeyUEIZMIGCYPAKSM-UHFFFAOYSA-N
XLogP3.91
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-fluoro-1-benzofuran?
The IUPAC name of 3-butyl-2-fluoro-1-benzofuran (CID 11041601) is 3-butyl-2-fluoro-1-benzofuran.
What is the SMILES notation for 3-butyl-2-fluoro-1-benzofuran?
The canonical SMILES for 3-butyl-2-fluoro-1-benzofuran is CCCCc1c(F)oc2ccccc12.
What is the InChIKey of 3-butyl-2-fluoro-1-benzofuran?
The InChIKey is UEIZMIGCYPAKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c1-2-3-6-10-9-7-4-5-8-11(9)14-12(10)13/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 3-butyl-2-fluoro-1-benzofuran?
3-butyl-2-fluoro-1-benzofuran has a molecular weight of 192.23 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-fluoro-1-benzofuran is sourced from PubChem (CID 11041601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).