1-(4-bromothiophen-2-yl)-1-(2,2-difluoroethoxy)propan-2-amine

C9H12BrF2NOS — CID 82005032

IUPAC1-(4-bromothiophen-2-yl)-1-(2,2-difluoroethoxy)propan-2-amine
SMILESCC(N)C(OCC(F)F)c1cc(Br)cs1
InChIInChI=1S/C9H12BrF2NOS/c1-5(13)9(14-3-8(11)12)7-2-6(10)4-15-7/h2,4-5,8-9H,3,13H2,1H3
InChIKeyMXFRSBDKGDURQA-UHFFFAOYSA-N
MW300.17 g/mol
LogP3.18
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-1-(2,2-difluoroethoxy)propan-2-amine

1-(4-bromothiophen-2-yl)-1-(2,2-difluoroethoxy)propan-2-amine (PubChem CID 82005032) has the molecular formula C9H12BrF2NOS and a molecular weight of 300.17 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-1-(2,2-difluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-1-(2,2-difluoroethoxy)propan-2-amine
PubChem CID82005032
Molecular FormulaC9H12BrF2NOS
Molecular Weight300.17 g/mol
Exact Mass298.98
IUPAC Name1-(4-bromothiophen-2-yl)-1-(2,2-difluoroethoxy)propan-2-amine
SMILESCC(N)C(OCC(F)F)c1cc(Br)cs1
InChIInChI=1S/C9H12BrF2NOS/c1-5(13)9(14-3-8(11)12)7-2-6(10)4-15-7/h2,4-5,8-9H,3,13H2,1H3
InChIKeyMXFRSBDKGDURQA-UHFFFAOYSA-N
XLogP3.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-1-(2,2-difluoroethoxy)propan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-1-(2,2-difluoroethoxy)propan-2-amine (CID 82005032) is 1-(4-bromothiophen-2-yl)-1-(2,2-difluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-1-(2,2-difluoroethoxy)propan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-1-(2,2-difluoroethoxy)propan-2-amine is CC(N)C(OCC(F)F)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-1-(2,2-difluoroethoxy)propan-2-amine?
The InChIKey is MXFRSBDKGDURQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrF2NOS/c1-5(13)9(14-3-8(11)12)7-2-6(10)4-15-7/h2,4-5,8-9H,3,13H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-1-(2,2-difluoroethoxy)propan-2-amine?
1-(4-bromothiophen-2-yl)-1-(2,2-difluoroethoxy)propan-2-amine has a molecular weight of 300.17 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-1-(2,2-difluoroethoxy)propan-2-amine is sourced from PubChem (CID 82005032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).