(4-bromo-3-chloro-2-fluorophenyl)-thiophen-3-ylmethanamine

C11H8BrClFNS — CID 106762249

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-thiophen-3-ylmethanamine
SMILESNC(c1ccsc1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C11H8BrClFNS/c12-8-2-1-7(10(14)9(8)13)11(15)6-3-4-16-5-6/h1-5,11H,15H2
InChIKeyXBONDQZADYCCON-UHFFFAOYSA-N
MW320.61 g/mol
LogP4.35
Rot. Bonds2

About (4-bromo-3-chloro-2-fluorophenyl)-thiophen-3-ylmethanamine

(4-bromo-3-chloro-2-fluorophenyl)-thiophen-3-ylmethanamine (PubChem CID 106762249) has the molecular formula C11H8BrClFNS and a molecular weight of 320.61 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-thiophen-3-ylmethanamine
PubChem CID106762249
Molecular FormulaC11H8BrClFNS
Molecular Weight320.61 g/mol
Exact Mass318.92
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-thiophen-3-ylmethanamine
SMILESNC(c1ccsc1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C11H8BrClFNS/c12-8-2-1-7(10(14)9(8)13)11(15)6-3-4-16-5-6/h1-5,11H,15H2
InChIKeyXBONDQZADYCCON-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(S)-(3-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171203703
(4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-5-fluorophenyl)methanamine
CID 106762682
(4-bromo-3-chloro-2-fluorophenyl)-(4-ethylsulfanylphenyl)methanamine
CID 106848615
(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 114022238
(4-bromo-3-chloro-2-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine
CID 106764353
(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 106764463
(S)-(2-bromo-4-methylphenyl)-thiophen-3-ylmethanamine
CID 171221689
(S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171201796
(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-3-ylmethanamine
CID 171204987
(S)-(2,4-dichlorophenyl)-thiophen-3-ylmethanamine
CID 171232158
(R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220162
(4-bromo-3-chloro-2-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 106764406

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-thiophen-3-ylmethanamine?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-thiophen-3-ylmethanamine (CID 106762249) is (4-bromo-3-chloro-2-fluorophenyl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-thiophen-3-ylmethanamine?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-thiophen-3-ylmethanamine is NC(c1ccsc1)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-thiophen-3-ylmethanamine?
The InChIKey is XBONDQZADYCCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFNS/c12-8-2-1-7(10(14)9(8)13)11(15)6-3-4-16-5-6/h1-5,11H,15H2.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-thiophen-3-ylmethanamine?
(4-bromo-3-chloro-2-fluorophenyl)-thiophen-3-ylmethanamine 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 (4-bromo-3-chloro-2-fluorophenyl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 106762249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).