(5-bromothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine

C11H8BrClFNS — CID 61103199

IUPAC(5-bromothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine
SMILESNC(c1ccc(Br)s1)c1ccc(F)cc1Cl
InChIInChI=1S/C11H8BrClFNS/c12-10-4-3-9(16-10)11(15)7-2-1-6(14)5-8(7)13/h1-5,11H,15H2
InChIKeyRSMMTLSNYMOKHF-UHFFFAOYSA-N
MW320.61 g/mol
LogP4.35
Rot. Bonds2

About (5-bromothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine

(5-bromothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine (PubChem CID 61103199) has the molecular formula C11H8BrClFNS and a molecular weight of 320.61 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine
PubChem CID61103199
Molecular FormulaC11H8BrClFNS
Molecular Weight320.61 g/mol
Exact Mass318.92
IUPAC Name(5-bromothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine
SMILESNC(c1ccc(Br)s1)c1ccc(F)cc1Cl
InChIInChI=1S/C11H8BrClFNS/c12-10-4-3-9(16-10)11(15)7-2-1-6(14)5-8(7)13/h1-5,11H,15H2
InChIKeyRSMMTLSNYMOKHF-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 (5-bromothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine?
The IUPAC name of (5-bromothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine (CID 61103199) is (5-bromothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine.
What is the SMILES notation for (5-bromothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine?
The canonical SMILES for (5-bromothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine is NC(c1ccc(Br)s1)c1ccc(F)cc1Cl.
What is the InChIKey of (5-bromothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine?
The InChIKey is RSMMTLSNYMOKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFNS/c12-10-4-3-9(16-10)11(15)7-2-1-6(14)5-8(7)13/h1-5,11H,15H2.
What are the key properties of (5-bromothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine?
(5-bromothiophen-2-yl)-(2-chloro-4-fluorophenyl)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 (5-bromothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine is sourced from PubChem (CID 61103199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).