(2-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine

C11H8Br2FNO — CID 115861677

IUPAC(2-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine
SMILESNC(c1cc(F)ccc1Br)c1occc1Br
InChIInChI=1S/C11H8Br2FNO/c12-8-2-1-6(14)5-7(8)10(15)11-9(13)3-4-16-11/h1-5,10H,15H2
InChIKeyRNIQFZOOJBILLY-UHFFFAOYSA-N
MW349.00 g/mol
LogP3.99
Rot. Bonds2

About (2-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine

(2-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine (PubChem CID 115861677) has the molecular formula C11H8Br2FNO and a molecular weight of 349.00 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine
PubChem CID115861677
Molecular FormulaC11H8Br2FNO
Molecular Weight349.00 g/mol
Exact Mass346.90
IUPAC Name(2-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine
SMILESNC(c1cc(F)ccc1Br)c1occc1Br
InChIInChI=1S/C11H8Br2FNO/c12-8-2-1-6(14)5-7(8)10(15)11-9(13)3-4-16-11/h1-5,10H,15H2
InChIKeyRNIQFZOOJBILLY-UHFFFAOYSA-N
XLogP3.99
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.00
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromofuran-2-yl)-(3-fluorophenyl)methanamine
CID 63941261
(3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine
CID 66425063
(2-bromo-4-chlorophenyl)-(3-bromofuran-2-yl)methanamine
CID 107993309
[(2-bromo-4-fluorophenyl)-(3-bromofuran-2-yl)methyl]hydrazine
CID 105309112
(3-bromofuran-2-yl)-(3-chloro-2-fluorophenyl)methanamine
CID 64713982
(3-bromofuran-2-yl)-(2,6-difluorophenyl)methanamine
CID 79523074
1-(2-bromo-5-fluorophenyl)ethanamine
CID 83350018
(1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethanamine
CID 124707188
(3-bromofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol
CID 63941244
(1S)-1-(2-bromo-5-fluorophenyl)-2-methylpropan-1-amine
CID 131093124
(2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 79725047
(2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048420

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine?
The IUPAC name of (2-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine (CID 115861677) is (2-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine is NC(c1cc(F)ccc1Br)c1occc1Br.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine?
The InChIKey is RNIQFZOOJBILLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2FNO/c12-8-2-1-6(14)5-7(8)10(15)11-9(13)3-4-16-11/h1-5,10H,15H2.
What are the key properties of (2-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine?
(2-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine has a molecular weight of 349.00 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine is sourced from PubChem (CID 115861677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).