(5-bromothiophen-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine

C12H9BrF3NOS — CID 105141567

IUPAC(5-bromothiophen-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1csc(Br)c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H9BrF3NOS/c13-10-5-7(6-19-10)11(17)8-3-1-2-4-9(8)18-12(14,15)16/h1-6,11H,17H2
InChIKeyVCAKXMLQLDHDOP-UHFFFAOYSA-N
MW352.18 g/mol
LogP4.46
Rot. Bonds3

About (5-bromothiophen-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine

(5-bromothiophen-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine (PubChem CID 105141567) has the molecular formula C12H9BrF3NOS and a molecular weight of 352.18 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine
PubChem CID105141567
Molecular FormulaC12H9BrF3NOS
Molecular Weight352.18 g/mol
Exact Mass350.95
IUPAC Name(5-bromothiophen-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1csc(Br)c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H9BrF3NOS/c13-10-5-7(6-19-10)11(17)8-3-1-2-4-9(8)18-12(14,15)16/h1-6,11H,17H2
InChIKeyVCAKXMLQLDHDOP-UHFFFAOYSA-N
XLogP4.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 62790847
(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 115850913
(2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 115850885
(2,5-difluorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 63672561
(2-methoxyphenyl)-(5-methylthiophen-3-yl)methanamine
CID 65104269
(2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 62916544
(5-bromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methanamine
CID 105142450
(S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239727
(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanamine
CID 171208041
(1R)-2,2,2-trifluoro-1-[2-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171243055
(1S)-2,2,2-trifluoro-1-[2-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171249788
(2-bromophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 62791669

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (5-bromothiophen-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine (CID 105141567) is (5-bromothiophen-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (5-bromothiophen-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (5-bromothiophen-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine is NC(c1csc(Br)c1)c1ccccc1OC(F)(F)F.
What is the InChIKey of (5-bromothiophen-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is VCAKXMLQLDHDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF3NOS/c13-10-5-7(6-19-10)11(17)8-3-1-2-4-9(8)18-12(14,15)16/h1-6,11H,17H2.
What are the key properties of (5-bromothiophen-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine?
(5-bromothiophen-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 352.18 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 105141567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).