(4-bromo-3-chloro-2-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine

C13H8BrClFNS2 — CID 106764406

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESNC(c1cc2sccc2s1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C13H8BrClFNS2/c14-7-2-1-6(12(16)11(7)15)13(17)10-5-9-8(19-10)3-4-18-9/h1-5,13H,17H2
InChIKeyRCKIQFAAPQFQMO-UHFFFAOYSA-N
MW376.70 g/mol
LogP5.57
Rot. Bonds2

About (4-bromo-3-chloro-2-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine

(4-bromo-3-chloro-2-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine (PubChem CID 106764406) has the molecular formula C13H8BrClFNS2 and a molecular weight of 376.70 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
PubChem CID106764406
Molecular FormulaC13H8BrClFNS2
Molecular Weight376.70 g/mol
Exact Mass374.90
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESNC(c1cc2sccc2s1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C13H8BrClFNS2/c14-7-2-1-6(12(16)11(7)15)13(17)10-5-9-8(19-10)3-4-18-9/h1-5,13H,17H2
InChIKeyRCKIQFAAPQFQMO-UHFFFAOYSA-N
XLogP5.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.70
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 114022238
(2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733937
(3-bromo-4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80744859
(4-bromo-2,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80745335
(2-bromo-4-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80745438
(4-bromo-3-chloro-2-fluorophenyl)-(3-ethylthiophen-2-yl)methanamine
CID 106764566
(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733537
(4-bromo-3-chloro-2-fluorophenyl)-thiophen-3-ylmethanamine
CID 106762249
(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 115795113
(3,4-dichlorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733867
(4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-5-fluorophenyl)methanamine
CID 106762682
(4-bromo-5-chlorothiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 102828028

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine (CID 106764406) is (4-bromo-3-chloro-2-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine is NC(c1cc2sccc2s1)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The InChIKey is RCKIQFAAPQFQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFNS2/c14-7-2-1-6(12(16)11(7)15)13(17)10-5-9-8(19-10)3-4-18-9/h1-5,13H,17H2.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
(4-bromo-3-chloro-2-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine has a molecular weight of 376.70 g/mol, XLogP of 5.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine is sourced from PubChem (CID 106764406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).