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

C7H9BrFNS — CID 112565119

IUPAC2-(3-bromothiophen-2-yl)-2-fluoropropan-1-amine
SMILESCC(F)(CN)c1sccc1Br
InChIInChI=1S/C7H9BrFNS/c1-7(9,4-10)6-5(8)2-3-11-6/h2-3H,4,10H2,1H3
InChIKeyQFJNGXDNSTVPFI-UHFFFAOYSA-N
MW238.12 g/mol
LogP2.65
Rot. Bonds2

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

2-(3-bromothiophen-2-yl)-2-fluoropropan-1-amine (PubChem CID 112565119) has the molecular formula C7H9BrFNS and a molecular weight of 238.12 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-2-fluoropropan-1-amine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-2-fluoropropan-1-amine
PubChem CID112565119
Molecular FormulaC7H9BrFNS
Molecular Weight238.12 g/mol
Exact Mass236.96
IUPAC Name2-(3-bromothiophen-2-yl)-2-fluoropropan-1-amine
SMILESCC(F)(CN)c1sccc1Br
InChIInChI=1S/C7H9BrFNS/c1-7(9,4-10)6-5(8)2-3-11-6/h2-3H,4,10H2,1H3
InChIKeyQFJNGXDNSTVPFI-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-2-fluoropropan-1-amine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-2-fluoropropan-1-amine (CID 112565119) is 2-(3-bromothiophen-2-yl)-2-fluoropropan-1-amine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-2-fluoropropan-1-amine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-2-fluoropropan-1-amine is CC(F)(CN)c1sccc1Br.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-2-fluoropropan-1-amine?
The InChIKey is QFJNGXDNSTVPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrFNS/c1-7(9,4-10)6-5(8)2-3-11-6/h2-3H,4,10H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-2-fluoropropan-1-amine?
2-(3-bromothiophen-2-yl)-2-fluoropropan-1-amine has a molecular weight of 238.12 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-2-fluoropropan-1-amine is sourced from PubChem (CID 112565119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).