(5-bromofuran-2-yl)-(3,4-difluorophenyl)methanamine

C11H8BrF2NO — CID 43464170

IUPAC(5-bromofuran-2-yl)-(3,4-difluorophenyl)methanamine
SMILESNC(c1ccc(F)c(F)c1)c1ccc(Br)o1
InChIInChI=1S/C11H8BrF2NO/c12-10-4-3-9(16-10)11(15)6-1-2-7(13)8(14)5-6/h1-5,11H,15H2
InChIKeyVOCBCZLKQVSSGZ-UHFFFAOYSA-N
MW288.09 g/mol
LogP3.37
Rot. Bonds2

About (5-bromofuran-2-yl)-(3,4-difluorophenyl)methanamine

(5-bromofuran-2-yl)-(3,4-difluorophenyl)methanamine (PubChem CID 43464170) has the molecular formula C11H8BrF2NO and a molecular weight of 288.09 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(3,4-difluorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(3,4-difluorophenyl)methanamine
PubChem CID43464170
Molecular FormulaC11H8BrF2NO
Molecular Weight288.09 g/mol
Exact Mass286.98
IUPAC Name(5-bromofuran-2-yl)-(3,4-difluorophenyl)methanamine
SMILESNC(c1ccc(F)c(F)c1)c1ccc(Br)o1
InChIInChI=1S/C11H8BrF2NO/c12-10-4-3-9(16-10)11(15)6-1-2-7(13)8(14)5-6/h1-5,11H,15H2
InChIKeyVOCBCZLKQVSSGZ-UHFFFAOYSA-N
XLogP3.37
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(3,4-difluorophenyl)methanamine?
The IUPAC name of (5-bromofuran-2-yl)-(3,4-difluorophenyl)methanamine (CID 43464170) is (5-bromofuran-2-yl)-(3,4-difluorophenyl)methanamine.
What is the SMILES notation for (5-bromofuran-2-yl)-(3,4-difluorophenyl)methanamine?
The canonical SMILES for (5-bromofuran-2-yl)-(3,4-difluorophenyl)methanamine is NC(c1ccc(F)c(F)c1)c1ccc(Br)o1.
What is the InChIKey of (5-bromofuran-2-yl)-(3,4-difluorophenyl)methanamine?
The InChIKey is VOCBCZLKQVSSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2NO/c12-10-4-3-9(16-10)11(15)6-1-2-7(13)8(14)5-6/h1-5,11H,15H2.
What are the key properties of (5-bromofuran-2-yl)-(3,4-difluorophenyl)methanamine?
(5-bromofuran-2-yl)-(3,4-difluorophenyl)methanamine has a molecular weight of 288.09 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(3,4-difluorophenyl)methanamine is sourced from PubChem (CID 43464170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).