(1S)-1-(2-bromothiophen-3-yl)-2,2,2-trifluoroethanamine

C6H5BrF3NS — CID 130648455

IUPAC(1S)-1-(2-bromothiophen-3-yl)-2,2,2-trifluoroethanamine
SMILESN[C@@H](c1ccsc1Br)C(F)(F)F
InChIInChI=1S/C6H5BrF3NS/c7-5-3(1-2-12-5)4(11)6(8,9)10/h1-2,4H,11H2/t4-/m0/s1
InChIKeyUIKHCYREJFCYOV-BYPYZUCNSA-N
MW260.08 g/mol
LogP3.07
Rot. Bonds1

About (1S)-1-(2-bromothiophen-3-yl)-2,2,2-trifluoroethanamine

(1S)-1-(2-bromothiophen-3-yl)-2,2,2-trifluoroethanamine (PubChem CID 130648455) has the molecular formula C6H5BrF3NS and a molecular weight of 260.08 g/mol. Its IUPAC name is (1S)-1-(2-bromothiophen-3-yl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name(1S)-1-(2-bromothiophen-3-yl)-2,2,2-trifluoroethanamine
PubChem CID130648455
Molecular FormulaC6H5BrF3NS
Molecular Weight260.08 g/mol
Exact Mass258.93
IUPAC Name(1S)-1-(2-bromothiophen-3-yl)-2,2,2-trifluoroethanamine
SMILESN[C@@H](c1ccsc1Br)C(F)(F)F
InChIInChI=1S/C6H5BrF3NS/c7-5-3(1-2-12-5)4(11)6(8,9)10/h1-2,4H,11H2/t4-/m0/s1
InChIKeyUIKHCYREJFCYOV-BYPYZUCNSA-N
XLogP3.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(2-bromothiophen-3-yl)-2,2,2-trifluoroethanamine with MolForge

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Related Compounds

3-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-amine
CID 130985332
3-(1-amino-2,2,2-trifluoroethyl)thiophene-2-carbonitrile
CID 130000626
(1R)-1-(5-bromo-2-iodophenyl)-2,2,2-trifluoroethanamine
CID 131123838
(1S)-2,2,2-trifluoro-1-(4-fluoro-2-iodophenyl)ethanamine
CID 66512623
1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine
CID 51358639
2-(1-amino-2,2,2-trifluoroethyl)-5-bromophenol
CID 77127813
(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 28501880
(1S)-1-(3-bromothiophen-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 131352754
(1S)-1-(2,3-dibromo-4-pyridinyl)-2,2,2-trifluoroethanamine
CID 130618199
(1S)-1-(2-bromo-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 97290353
(1S)-1-(2-bromo-3-chlorophenyl)-2,2,2-trifluoroethanamine
CID 130667190
(1R)-1-(4-bromofuran-3-yl)-2,2,2-trifluoroethanamine
CID 130655112

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromothiophen-3-yl)-2,2,2-trifluoroethanamine?
The IUPAC name of (1S)-1-(2-bromothiophen-3-yl)-2,2,2-trifluoroethanamine (CID 130648455) is (1S)-1-(2-bromothiophen-3-yl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for (1S)-1-(2-bromothiophen-3-yl)-2,2,2-trifluoroethanamine?
The canonical SMILES for (1S)-1-(2-bromothiophen-3-yl)-2,2,2-trifluoroethanamine is N[C@@H](c1ccsc1Br)C(F)(F)F.
What is the InChIKey of (1S)-1-(2-bromothiophen-3-yl)-2,2,2-trifluoroethanamine?
The InChIKey is UIKHCYREJFCYOV-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H5BrF3NS/c7-5-3(1-2-12-5)4(11)6(8,9)10/h1-2,4H,11H2/t4-/m0/s1.
What are the key properties of (1S)-1-(2-bromothiophen-3-yl)-2,2,2-trifluoroethanamine?
(1S)-1-(2-bromothiophen-3-yl)-2,2,2-trifluoroethanamine has a molecular weight of 260.08 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromothiophen-3-yl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 130648455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).