2-[(3-bromofuran-2-yl)-fluoromethyl]-3-methylbutan-1-amine

C10H15BrFNO — CID 107443652

IUPAC2-[(3-bromofuran-2-yl)-fluoromethyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)C(F)c1occc1Br
InChIInChI=1S/C10H15BrFNO/c1-6(2)7(5-13)9(12)10-8(11)3-4-14-10/h3-4,6-7,9H,5,13H2,1-2H3
InChIKeyZUBPHXDOYRYZSJ-UHFFFAOYSA-N
MW264.14 g/mol
LogP3.28
Rot. Bonds4

About 2-[(3-bromofuran-2-yl)-fluoromethyl]-3-methylbutan-1-amine

2-[(3-bromofuran-2-yl)-fluoromethyl]-3-methylbutan-1-amine (PubChem CID 107443652) has the molecular formula C10H15BrFNO and a molecular weight of 264.14 g/mol. Its IUPAC name is 2-[(3-bromofuran-2-yl)-fluoromethyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(3-bromofuran-2-yl)-fluoromethyl]-3-methylbutan-1-amine
PubChem CID107443652
Molecular FormulaC10H15BrFNO
Molecular Weight264.14 g/mol
Exact Mass263.03
IUPAC Name2-[(3-bromofuran-2-yl)-fluoromethyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)C(F)c1occc1Br
InChIInChI=1S/C10H15BrFNO/c1-6(2)7(5-13)9(12)10-8(11)3-4-14-10/h3-4,6-7,9H,5,13H2,1-2H3
InChIKeyZUBPHXDOYRYZSJ-UHFFFAOYSA-N
XLogP3.28
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 53.28
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)-fluoromethyl]-3-methylbutan-1-amine?
The IUPAC name of 2-[(3-bromofuran-2-yl)-fluoromethyl]-3-methylbutan-1-amine (CID 107443652) is 2-[(3-bromofuran-2-yl)-fluoromethyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(3-bromofuran-2-yl)-fluoromethyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[(3-bromofuran-2-yl)-fluoromethyl]-3-methylbutan-1-amine is CC(C)C(CN)C(F)c1occc1Br.
What is the InChIKey of 2-[(3-bromofuran-2-yl)-fluoromethyl]-3-methylbutan-1-amine?
The InChIKey is ZUBPHXDOYRYZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrFNO/c1-6(2)7(5-13)9(12)10-8(11)3-4-14-10/h3-4,6-7,9H,5,13H2,1-2H3.
What are the key properties of 2-[(3-bromofuran-2-yl)-fluoromethyl]-3-methylbutan-1-amine?
2-[(3-bromofuran-2-yl)-fluoromethyl]-3-methylbutan-1-amine has a molecular weight of 264.14 g/mol, XLogP of 3.28, 4 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)-fluoromethyl]-3-methylbutan-1-amine is sourced from PubChem (CID 107443652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).