[5-(2-bromo-5-fluorophenyl)thiophen-2-yl]methanamine

C11H9BrFNS — CID 107626516

IUPAC[5-(2-bromo-5-fluorophenyl)thiophen-2-yl]methanamine
SMILESNCc1ccc(-c2cc(F)ccc2Br)s1
InChIInChI=1S/C11H9BrFNS/c12-10-3-1-7(13)5-9(10)11-4-2-8(6-14)15-11/h1-5H,6,14H2
InChIKeyKXCKRNZLBRCYHS-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.78
Rot. Bonds2

About [5-(2-bromo-5-fluorophenyl)thiophen-2-yl]methanamine

[5-(2-bromo-5-fluorophenyl)thiophen-2-yl]methanamine (PubChem CID 107626516) has the molecular formula C11H9BrFNS and a molecular weight of 286.17 g/mol. Its IUPAC name is [5-(2-bromo-5-fluorophenyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-bromo-5-fluorophenyl)thiophen-2-yl]methanamine
PubChem CID107626516
Molecular FormulaC11H9BrFNS
Molecular Weight286.17 g/mol
Exact Mass284.96
IUPAC Name[5-(2-bromo-5-fluorophenyl)thiophen-2-yl]methanamine
SMILESNCc1ccc(-c2cc(F)ccc2Br)s1
InChIInChI=1S/C11H9BrFNS/c12-10-3-1-7(13)5-9(10)11-4-2-8(6-14)15-11/h1-5H,6,14H2
InChIKeyKXCKRNZLBRCYHS-UHFFFAOYSA-N
XLogP3.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(2-bromo-5-methylphenyl)thiophen-2-yl]methanamine
CID 82766883
1-[5-(2-bromo-5-fluorophenyl)thiophen-2-yl]-N-methylmethanamine
CID 107626547
[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine
CID 62813233
[5-(5-bromo-2-fluorophenyl)thiophen-2-yl]methanamine
CID 43556020
[2-(5-ethylthiophen-2-yl)-5-fluorophenyl]methanamine
CID 164918637
[5-bromo-2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]methanamine
CID 116868261
N-[[5-(2-bromo-5-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 82766566
[4-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 107923426
(5-phenylthiophen-2-yl)methanamine
CID 11993875
2-amino-1-(2-bromo-5-fluorophenyl)ethanol
CID 83714678
4-(2-bromo-5-fluorophenyl)-1,2-oxazol-5-amine
CID 117395502
4,12-difluoro-18-thiatetracyclo[13.2.1.02,7.09,14]octadeca-1(17),2(7),3,5,9(14),10,12,15-octaen-8-one
CID 169095983

Frequently Asked Questions

What is the IUPAC name of [5-(2-bromo-5-fluorophenyl)thiophen-2-yl]methanamine?
The IUPAC name of [5-(2-bromo-5-fluorophenyl)thiophen-2-yl]methanamine (CID 107626516) is [5-(2-bromo-5-fluorophenyl)thiophen-2-yl]methanamine.
What is the SMILES notation for [5-(2-bromo-5-fluorophenyl)thiophen-2-yl]methanamine?
The canonical SMILES for [5-(2-bromo-5-fluorophenyl)thiophen-2-yl]methanamine is NCc1ccc(-c2cc(F)ccc2Br)s1.
What is the InChIKey of [5-(2-bromo-5-fluorophenyl)thiophen-2-yl]methanamine?
The InChIKey is KXCKRNZLBRCYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNS/c12-10-3-1-7(13)5-9(10)11-4-2-8(6-14)15-11/h1-5H,6,14H2.
What are the key properties of [5-(2-bromo-5-fluorophenyl)thiophen-2-yl]methanamine?
[5-(2-bromo-5-fluorophenyl)thiophen-2-yl]methanamine has a molecular weight of 286.17 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-bromo-5-fluorophenyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 107626516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).