1-(3-bromothiophen-2-yl)-2,2-difluoroethanamine

C6H6BrF2NS — CID 103947145

IUPAC1-(3-bromothiophen-2-yl)-2,2-difluoroethanamine
SMILESNC(c1sccc1Br)C(F)F
InChIInChI=1S/C6H6BrF2NS/c7-3-1-2-11-5(3)4(10)6(8)9/h1-2,4,6H,10H2
InChIKeyRVCKUEAPZOYDFP-UHFFFAOYSA-N
MW242.09 g/mol
LogP2.78
Rot. Bonds2

About 1-(3-bromothiophen-2-yl)-2,2-difluoroethanamine

1-(3-bromothiophen-2-yl)-2,2-difluoroethanamine (PubChem CID 103947145) has the molecular formula C6H6BrF2NS and a molecular weight of 242.09 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2,2-difluoroethanamine
PubChem CID103947145
Molecular FormulaC6H6BrF2NS
Molecular Weight242.09 g/mol
Exact Mass240.94
IUPAC Name1-(3-bromothiophen-2-yl)-2,2-difluoroethanamine
SMILESNC(c1sccc1Br)C(F)F
InChIInChI=1S/C6H6BrF2NS/c7-3-1-2-11-5(3)4(10)6(8)9/h1-2,4,6H,10H2
InChIKeyRVCKUEAPZOYDFP-UHFFFAOYSA-N
XLogP2.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.09
LogP ≤ 52.78
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)-2,2-difluoroethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2,2-difluoroethanamine (CID 103947145) is 1-(3-bromothiophen-2-yl)-2,2-difluoroethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2,2-difluoroethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2,2-difluoroethanamine is NC(c1sccc1Br)C(F)F.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2,2-difluoroethanamine?
The InChIKey is RVCKUEAPZOYDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF2NS/c7-3-1-2-11-5(3)4(10)6(8)9/h1-2,4,6H,10H2.
What are the key properties of 1-(3-bromothiophen-2-yl)-2,2-difluoroethanamine?
1-(3-bromothiophen-2-yl)-2,2-difluoroethanamine has a molecular weight of 242.09 g/mol, XLogP of 2.78, 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)-2,2-difluoroethanamine is sourced from PubChem (CID 103947145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).