3-(4-bromothiophen-2-yl)-1,1-difluoropropan-2-amine

C7H8BrF2NS — CID 103516572

IUPAC3-(4-bromothiophen-2-yl)-1,1-difluoropropan-2-amine
SMILESNC(Cc1cc(Br)cs1)C(F)F
InChIInChI=1S/C7H8BrF2NS/c8-4-1-5(12-3-4)2-6(11)7(9)10/h1,3,6-7H,2,11H2
InChIKeyCLMLZYUFFYUCAD-UHFFFAOYSA-N
MW256.11 g/mol
LogP2.65
Rot. Bonds3

About 3-(4-bromothiophen-2-yl)-1,1-difluoropropan-2-amine

3-(4-bromothiophen-2-yl)-1,1-difluoropropan-2-amine (PubChem CID 103516572) has the molecular formula C7H8BrF2NS and a molecular weight of 256.11 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-1,1-difluoropropan-2-amine.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-1,1-difluoropropan-2-amine
PubChem CID103516572
Molecular FormulaC7H8BrF2NS
Molecular Weight256.11 g/mol
Exact Mass254.95
IUPAC Name3-(4-bromothiophen-2-yl)-1,1-difluoropropan-2-amine
SMILESNC(Cc1cc(Br)cs1)C(F)F
InChIInChI=1S/C7H8BrF2NS/c8-4-1-5(12-3-4)2-6(11)7(9)10/h1,3,6-7H,2,11H2
InChIKeyCLMLZYUFFYUCAD-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 52.65
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)-1,1-difluoropropan-2-amine?
The IUPAC name of 3-(4-bromothiophen-2-yl)-1,1-difluoropropan-2-amine (CID 103516572) is 3-(4-bromothiophen-2-yl)-1,1-difluoropropan-2-amine.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-1,1-difluoropropan-2-amine?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-1,1-difluoropropan-2-amine is NC(Cc1cc(Br)cs1)C(F)F.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-1,1-difluoropropan-2-amine?
The InChIKey is CLMLZYUFFYUCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF2NS/c8-4-1-5(12-3-4)2-6(11)7(9)10/h1,3,6-7H,2,11H2.
What are the key properties of 3-(4-bromothiophen-2-yl)-1,1-difluoropropan-2-amine?
3-(4-bromothiophen-2-yl)-1,1-difluoropropan-2-amine has a molecular weight of 256.11 g/mol, XLogP of 2.65, 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)-1,1-difluoropropan-2-amine is sourced from PubChem (CID 103516572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).