(3-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine

C11H8BrClFNS — CID 79747667

IUPAC(3-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine
SMILESNC(c1ccc(F)c(Br)c1)c1ccc(Cl)s1
InChIInChI=1S/C11H8BrClFNS/c12-7-5-6(1-2-8(7)14)11(15)9-3-4-10(13)16-9/h1-5,11H,15H2
InChIKeyKHGZNMAUIUFFCX-UHFFFAOYSA-N
MW320.61 g/mol
LogP4.35
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine

(3-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine (PubChem CID 79747667) has the molecular formula C11H8BrClFNS and a molecular weight of 320.61 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine
PubChem CID79747667
Molecular FormulaC11H8BrClFNS
Molecular Weight320.61 g/mol
Exact Mass318.92
IUPAC Name(3-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine
SMILESNC(c1ccc(F)c(Br)c1)c1ccc(Cl)s1
InChIInChI=1S/C11H8BrClFNS/c12-7-5-6(1-2-8(7)14)11(15)9-3-4-10(13)16-9/h1-5,11H,15H2
InChIKeyKHGZNMAUIUFFCX-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine?
The IUPAC name of (3-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine (CID 79747667) is (3-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine is NC(c1ccc(F)c(Br)c1)c1ccc(Cl)s1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine?
The InChIKey is KHGZNMAUIUFFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFNS/c12-7-5-6(1-2-8(7)14)11(15)9-3-4-10(13)16-9/h1-5,11H,15H2.
What are the key properties of (3-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine?
(3-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine has a molecular weight of 320.61 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine is sourced from PubChem (CID 79747667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).