(5-bromothiophen-3-yl)-(2,4,6-trifluorophenyl)methanamine

C11H7BrF3NS — CID 107960534

IUPAC(5-bromothiophen-3-yl)-(2,4,6-trifluorophenyl)methanamine
SMILESNC(c1csc(Br)c1)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H7BrF3NS/c12-9-1-5(4-17-9)11(16)10-7(14)2-6(13)3-8(10)15/h1-4,11H,16H2
InChIKeyRSJOABFBCPVXRV-UHFFFAOYSA-N
MW322.15 g/mol
LogP3.98
Rot. Bonds2

About (5-bromothiophen-3-yl)-(2,4,6-trifluorophenyl)methanamine

(5-bromothiophen-3-yl)-(2,4,6-trifluorophenyl)methanamine (PubChem CID 107960534) has the molecular formula C11H7BrF3NS and a molecular weight of 322.15 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(2,4,6-trifluorophenyl)methanamine
PubChem CID107960534
Molecular FormulaC11H7BrF3NS
Molecular Weight322.15 g/mol
Exact Mass320.94
IUPAC Name(5-bromothiophen-3-yl)-(2,4,6-trifluorophenyl)methanamine
SMILESNC(c1csc(Br)c1)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H7BrF3NS/c12-9-1-5(4-17-9)11(16)10-7(14)2-6(13)3-8(10)15/h1-4,11H,16H2
InChIKeyRSJOABFBCPVXRV-UHFFFAOYSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-(2,4,6-trifluorophenyl)methanamine
CID 43198681
(5-bromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methanamine
CID 105142450
(3-bromo-5-methylphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 104851108
(5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291801
(4,5-dibromothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 80532887
(4-propan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43198710
(4-iodophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43124899
(1R)-1-(5-bromothiophen-3-yl)ethanamine
CID 96861697
(1R)-1-(5-bromothiophen-3-yl)ethanamine;hydrochloride
CID 154577460
(2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 114558834
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 103394465
(4-methoxythiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 81127367

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of (5-bromothiophen-3-yl)-(2,4,6-trifluorophenyl)methanamine (CID 107960534) is (5-bromothiophen-3-yl)-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for (5-bromothiophen-3-yl)-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for (5-bromothiophen-3-yl)-(2,4,6-trifluorophenyl)methanamine is NC(c1csc(Br)c1)c1c(F)cc(F)cc1F.
What is the InChIKey of (5-bromothiophen-3-yl)-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is RSJOABFBCPVXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3NS/c12-9-1-5(4-17-9)11(16)10-7(14)2-6(13)3-8(10)15/h1-4,11H,16H2.
What are the key properties of (5-bromothiophen-3-yl)-(2,4,6-trifluorophenyl)methanamine?
(5-bromothiophen-3-yl)-(2,4,6-trifluorophenyl)methanamine has a molecular weight of 322.15 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 107960534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).