1-(3-bromothiophen-2-yl)-3,3,3-trifluoropropan-1-amine

C7H7BrF3NS — CID 79016073

IUPAC1-(3-bromothiophen-2-yl)-3,3,3-trifluoropropan-1-amine
SMILESNC(CC(F)(F)F)c1sccc1Br
InChIInChI=1S/C7H7BrF3NS/c8-4-1-2-13-6(4)5(12)3-7(9,10)11/h1-2,5H,3,12H2
InChIKeyRJUJQQKVEGFCGC-UHFFFAOYSA-N
MW274.10 g/mol
LogP3.46
Rot. Bonds2

About 1-(3-bromothiophen-2-yl)-3,3,3-trifluoropropan-1-amine

1-(3-bromothiophen-2-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 79016073) has the molecular formula C7H7BrF3NS and a molecular weight of 274.10 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID79016073
Molecular FormulaC7H7BrF3NS
Molecular Weight274.10 g/mol
Exact Mass272.94
IUPAC Name1-(3-bromothiophen-2-yl)-3,3,3-trifluoropropan-1-amine
SMILESNC(CC(F)(F)F)c1sccc1Br
InChIInChI=1S/C7H7BrF3NS/c8-4-1-2-13-6(4)5(12)3-7(9,10)11/h1-2,5H,3,12H2
InChIKeyRJUJQQKVEGFCGC-UHFFFAOYSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-3,3,3-trifluoropropan-1-amine (CID 79016073) is 1-(3-bromothiophen-2-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-3,3,3-trifluoropropan-1-amine is NC(CC(F)(F)F)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is RJUJQQKVEGFCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF3NS/c8-4-1-2-13-6(4)5(12)3-7(9,10)11/h1-2,5H,3,12H2.
What are the key properties of 1-(3-bromothiophen-2-yl)-3,3,3-trifluoropropan-1-amine?
1-(3-bromothiophen-2-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 274.10 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 79016073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).