3-(4-bromothiophen-2-yl)-2-fluoropropan-1-amine

C7H9BrFNS — CID 112562803

IUPAC3-(4-bromothiophen-2-yl)-2-fluoropropan-1-amine
SMILESNCC(F)Cc1cc(Br)cs1
InChIInChI=1S/C7H9BrFNS/c8-5-1-7(11-4-5)2-6(9)3-10/h1,4,6H,2-3,10H2
InChIKeyWXSYHMKQPZFZDQ-UHFFFAOYSA-N
MW238.12 g/mol
LogP2.35
Rot. Bonds3

About 3-(4-bromothiophen-2-yl)-2-fluoropropan-1-amine

3-(4-bromothiophen-2-yl)-2-fluoropropan-1-amine (PubChem CID 112562803) has the molecular formula C7H9BrFNS and a molecular weight of 238.12 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-2-fluoropropan-1-amine.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-2-fluoropropan-1-amine
PubChem CID112562803
Molecular FormulaC7H9BrFNS
Molecular Weight238.12 g/mol
Exact Mass236.96
IUPAC Name3-(4-bromothiophen-2-yl)-2-fluoropropan-1-amine
SMILESNCC(F)Cc1cc(Br)cs1
InChIInChI=1S/C7H9BrFNS/c8-5-1-7(11-4-5)2-6(9)3-10/h1,4,6H,2-3,10H2
InChIKeyWXSYHMKQPZFZDQ-UHFFFAOYSA-N
XLogP2.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-2-fluoropropan-1-amine?
The IUPAC name of 3-(4-bromothiophen-2-yl)-2-fluoropropan-1-amine (CID 112562803) is 3-(4-bromothiophen-2-yl)-2-fluoropropan-1-amine.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-2-fluoropropan-1-amine?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-2-fluoropropan-1-amine is NCC(F)Cc1cc(Br)cs1.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-2-fluoropropan-1-amine?
The InChIKey is WXSYHMKQPZFZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrFNS/c8-5-1-7(11-4-5)2-6(9)3-10/h1,4,6H,2-3,10H2.
What are the key properties of 3-(4-bromothiophen-2-yl)-2-fluoropropan-1-amine?
3-(4-bromothiophen-2-yl)-2-fluoropropan-1-amine has a molecular weight of 238.12 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-2-yl)-2-fluoropropan-1-amine is sourced from PubChem (CID 112562803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).