(3-bromo-2,6-difluorophenyl)-(5-chlorothiophen-2-yl)methanamine

C11H7BrClF2NS — CID 106944889

IUPAC(3-bromo-2,6-difluorophenyl)-(5-chlorothiophen-2-yl)methanamine
SMILESNC(c1ccc(Cl)s1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C11H7BrClF2NS/c12-5-1-2-6(14)9(10(5)15)11(16)7-3-4-8(13)17-7/h1-4,11H,16H2
InChIKeyDKYNURXGTTZAEH-UHFFFAOYSA-N
MW338.60 g/mol
LogP4.49
Rot. Bonds2

About (3-bromo-2,6-difluorophenyl)-(5-chlorothiophen-2-yl)methanamine

(3-bromo-2,6-difluorophenyl)-(5-chlorothiophen-2-yl)methanamine (PubChem CID 106944889) has the molecular formula C11H7BrClF2NS and a molecular weight of 338.60 g/mol. Its IUPAC name is (3-bromo-2,6-difluorophenyl)-(5-chlorothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-2,6-difluorophenyl)-(5-chlorothiophen-2-yl)methanamine
PubChem CID106944889
Molecular FormulaC11H7BrClF2NS
Molecular Weight338.60 g/mol
Exact Mass336.91
IUPAC Name(3-bromo-2,6-difluorophenyl)-(5-chlorothiophen-2-yl)methanamine
SMILESNC(c1ccc(Cl)s1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C11H7BrClF2NS/c12-5-1-2-6(14)9(10(5)15)11(16)7-3-4-8(13)17-7/h1-4,11H,16H2
InChIKeyDKYNURXGTTZAEH-UHFFFAOYSA-N
XLogP4.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.60
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-6-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine
CID 114558836
(3-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine
CID 79747667
(5-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanamine
CID 65434580
(3-bromo-2,6-difluorophenyl)-(4-fluorophenyl)methanamine
CID 106942181
2-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chlorothiophene
CID 114560642
(5-bromo-4-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82814808
(1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 171248107
(3-bromo-2,6-difluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
CID 106943162
(3-bromo-2,6-difluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 106944890
(3-bromo-2,6-difluorophenyl)-(2,4-difluorophenyl)methanamine
CID 106942443
(3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanol
CID 106941245
(5-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanol
CID 82816406

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,6-difluorophenyl)-(5-chlorothiophen-2-yl)methanamine?
The IUPAC name of (3-bromo-2,6-difluorophenyl)-(5-chlorothiophen-2-yl)methanamine (CID 106944889) is (3-bromo-2,6-difluorophenyl)-(5-chlorothiophen-2-yl)methanamine.
What is the SMILES notation for (3-bromo-2,6-difluorophenyl)-(5-chlorothiophen-2-yl)methanamine?
The canonical SMILES for (3-bromo-2,6-difluorophenyl)-(5-chlorothiophen-2-yl)methanamine is NC(c1ccc(Cl)s1)c1c(F)ccc(Br)c1F.
What is the InChIKey of (3-bromo-2,6-difluorophenyl)-(5-chlorothiophen-2-yl)methanamine?
The InChIKey is DKYNURXGTTZAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClF2NS/c12-5-1-2-6(14)9(10(5)15)11(16)7-3-4-8(13)17-7/h1-4,11H,16H2.
What are the key properties of (3-bromo-2,6-difluorophenyl)-(5-chlorothiophen-2-yl)methanamine?
(3-bromo-2,6-difluorophenyl)-(5-chlorothiophen-2-yl)methanamine has a molecular weight of 338.60 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,6-difluorophenyl)-(5-chlorothiophen-2-yl)methanamine is sourced from PubChem (CID 106944889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).