(5-bromofuran-2-yl)-(4-chloro-3-fluorophenyl)methanamine

C11H8BrClFNO — CID 107998826

IUPAC(5-bromofuran-2-yl)-(4-chloro-3-fluorophenyl)methanamine
SMILESNC(c1ccc(Cl)c(F)c1)c1ccc(Br)o1
InChIInChI=1S/C11H8BrClFNO/c12-10-4-3-9(16-10)11(15)6-1-2-7(13)8(14)5-6/h1-5,11H,15H2
InChIKeyVUAAGRQPBIAURW-UHFFFAOYSA-N
MW304.55 g/mol
LogP3.88
Rot. Bonds2

About (5-bromofuran-2-yl)-(4-chloro-3-fluorophenyl)methanamine

(5-bromofuran-2-yl)-(4-chloro-3-fluorophenyl)methanamine (PubChem CID 107998826) has the molecular formula C11H8BrClFNO and a molecular weight of 304.55 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(4-chloro-3-fluorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(4-chloro-3-fluorophenyl)methanamine
PubChem CID107998826
Molecular FormulaC11H8BrClFNO
Molecular Weight304.55 g/mol
Exact Mass302.95
IUPAC Name(5-bromofuran-2-yl)-(4-chloro-3-fluorophenyl)methanamine
SMILESNC(c1ccc(Cl)c(F)c1)c1ccc(Br)o1
InChIInChI=1S/C11H8BrClFNO/c12-10-4-3-9(16-10)11(15)6-1-2-7(13)8(14)5-6/h1-5,11H,15H2
InChIKeyVUAAGRQPBIAURW-UHFFFAOYSA-N
XLogP3.88
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.55
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromofuran-2-yl)-(2-chloro-5-fluorophenyl)methanamine
CID 105397394
(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine
CID 107991698
(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 114025088
(4-chloro-3-fluorophenyl)-(furan-2-yl)methanamine
CID 107993178
(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107996089
(4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 114025071
(4-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 114024968
(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methanamine
CID 81322931
(5-bromofuran-2-yl)-(2,4-difluorophenyl)methanamine
CID 43464215
(S)-(4-chloro-3-fluorophenyl)-(1,3,4-oxadiazol-2-yl)methanamine
CID 96909136
(4-chloro-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine
CID 107995408
(4-chloro-3-fluorophenyl)-(3-fluoro-5-methylphenyl)methanamine
CID 107994515

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(4-chloro-3-fluorophenyl)methanamine?
The IUPAC name of (5-bromofuran-2-yl)-(4-chloro-3-fluorophenyl)methanamine (CID 107998826) is (5-bromofuran-2-yl)-(4-chloro-3-fluorophenyl)methanamine.
What is the SMILES notation for (5-bromofuran-2-yl)-(4-chloro-3-fluorophenyl)methanamine?
The canonical SMILES for (5-bromofuran-2-yl)-(4-chloro-3-fluorophenyl)methanamine is NC(c1ccc(Cl)c(F)c1)c1ccc(Br)o1.
What is the InChIKey of (5-bromofuran-2-yl)-(4-chloro-3-fluorophenyl)methanamine?
The InChIKey is VUAAGRQPBIAURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFNO/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)-(4-chloro-3-fluorophenyl)methanamine?
(5-bromofuran-2-yl)-(4-chloro-3-fluorophenyl)methanamine has a molecular weight of 304.55 g/mol, XLogP of 3.88, 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)-(4-chloro-3-fluorophenyl)methanamine is sourced from PubChem (CID 107998826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).