2-(3-bromofuran-2-yl)-2-fluorobutan-1-amine

C8H11BrFNO — CID 112566138

IUPAC2-(3-bromofuran-2-yl)-2-fluorobutan-1-amine
SMILESCCC(F)(CN)c1occc1Br
InChIInChI=1S/C8H11BrFNO/c1-2-8(10,5-11)7-6(9)3-4-12-7/h3-4H,2,5,11H2,1H3
InChIKeyVOBGPDSFELKHMJ-UHFFFAOYSA-N
MW236.08 g/mol
LogP2.58
Rot. Bonds3

About 2-(3-bromofuran-2-yl)-2-fluorobutan-1-amine

2-(3-bromofuran-2-yl)-2-fluorobutan-1-amine (PubChem CID 112566138) has the molecular formula C8H11BrFNO and a molecular weight of 236.08 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-2-fluorobutan-1-amine.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-2-fluorobutan-1-amine
PubChem CID112566138
Molecular FormulaC8H11BrFNO
Molecular Weight236.08 g/mol
Exact Mass235.00
IUPAC Name2-(3-bromofuran-2-yl)-2-fluorobutan-1-amine
SMILESCCC(F)(CN)c1occc1Br
InChIInChI=1S/C8H11BrFNO/c1-2-8(10,5-11)7-6(9)3-4-12-7/h3-4H,2,5,11H2,1H3
InChIKeyVOBGPDSFELKHMJ-UHFFFAOYSA-N
XLogP2.58
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.08
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)-2-fluorobutan-1-amine?
The IUPAC name of 2-(3-bromofuran-2-yl)-2-fluorobutan-1-amine (CID 112566138) is 2-(3-bromofuran-2-yl)-2-fluorobutan-1-amine.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-2-fluorobutan-1-amine?
The canonical SMILES for 2-(3-bromofuran-2-yl)-2-fluorobutan-1-amine is CCC(F)(CN)c1occc1Br.
What is the InChIKey of 2-(3-bromofuran-2-yl)-2-fluorobutan-1-amine?
The InChIKey is VOBGPDSFELKHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrFNO/c1-2-8(10,5-11)7-6(9)3-4-12-7/h3-4H,2,5,11H2,1H3.
What are the key properties of 2-(3-bromofuran-2-yl)-2-fluorobutan-1-amine?
2-(3-bromofuran-2-yl)-2-fluorobutan-1-amine has a molecular weight of 236.08 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromofuran-2-yl)-2-fluorobutan-1-amine is sourced from PubChem (CID 112566138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).