3-(5-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-amine

C8H11BrFNS — CID 112565138

IUPAC3-(5-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-amine
SMILESCC(F)(CN)Cc1ccc(Br)s1
InChIInChI=1S/C8H11BrFNS/c1-8(10,5-11)4-6-2-3-7(9)12-6/h2-3H,4-5,11H2,1H3
InChIKeyYZCJURBSQRCKFW-UHFFFAOYSA-N
MW252.15 g/mol
LogP2.74
Rot. Bonds3

About 3-(5-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-amine

3-(5-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-amine (PubChem CID 112565138) has the molecular formula C8H11BrFNS and a molecular weight of 252.15 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-amine
PubChem CID112565138
Molecular FormulaC8H11BrFNS
Molecular Weight252.15 g/mol
Exact Mass250.98
IUPAC Name3-(5-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-amine
SMILESCC(F)(CN)Cc1ccc(Br)s1
InChIInChI=1S/C8H11BrFNS/c1-8(10,5-11)4-6-2-3-7(9)12-6/h2-3H,4-5,11H2,1H3
InChIKeyYZCJURBSQRCKFW-UHFFFAOYSA-N
XLogP2.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-amine (CID 112565138) is 3-(5-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-amine is CC(F)(CN)Cc1ccc(Br)s1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-amine?
The InChIKey is YZCJURBSQRCKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrFNS/c1-8(10,5-11)4-6-2-3-7(9)12-6/h2-3H,4-5,11H2,1H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-amine?
3-(5-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-amine has a molecular weight of 252.15 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-amine is sourced from PubChem (CID 112565138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).