2-[[2-amino-1-(5-bromothiophen-2-yl)propyl]-(2,2-difluoroethyl)amino]ethanol

C11H17BrF2N2OS — CID 107478575

IUPAC2-[[2-amino-1-(5-bromothiophen-2-yl)propyl]-(2,2-difluoroethyl)amino]ethanol
SMILESCC(N)C(c1ccc(Br)s1)N(CCO)CC(F)F
InChIInChI=1S/C11H17BrF2N2OS/c1-7(15)11(8-2-3-9(12)18-8)16(4-5-17)6-10(13)14/h2-3,7,10-11,17H,4-6,15H2,1H3
InChIKeyCZMNVMMUBWIHTM-UHFFFAOYSA-N
MW343.24 g/mol
LogP2.46
Rot. Bonds7

About 2-[[2-amino-1-(5-bromothiophen-2-yl)propyl]-(2,2-difluoroethyl)amino]ethanol

2-[[2-amino-1-(5-bromothiophen-2-yl)propyl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107478575) has the molecular formula C11H17BrF2N2OS and a molecular weight of 343.24 g/mol. Its IUPAC name is 2-[[2-amino-1-(5-bromothiophen-2-yl)propyl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-1-(5-bromothiophen-2-yl)propyl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107478575
Molecular FormulaC11H17BrF2N2OS
Molecular Weight343.24 g/mol
Exact Mass342.02
IUPAC Name2-[[2-amino-1-(5-bromothiophen-2-yl)propyl]-(2,2-difluoroethyl)amino]ethanol
SMILESCC(N)C(c1ccc(Br)s1)N(CCO)CC(F)F
InChIInChI=1S/C11H17BrF2N2OS/c1-7(15)11(8-2-3-9(12)18-8)16(4-5-17)6-10(13)14/h2-3,7,10-11,17H,4-6,15H2,1H3
InChIKeyCZMNVMMUBWIHTM-UHFFFAOYSA-N
XLogP2.46
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(5-bromothiophen-2-yl)propyl]-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[2-amino-1-(5-bromothiophen-2-yl)propyl]-(2,2-difluoroethyl)amino]ethanol (CID 107478575) is 2-[[2-amino-1-(5-bromothiophen-2-yl)propyl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-amino-1-(5-bromothiophen-2-yl)propyl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[2-amino-1-(5-bromothiophen-2-yl)propyl]-(2,2-difluoroethyl)amino]ethanol is CC(N)C(c1ccc(Br)s1)N(CCO)CC(F)F.
What is the InChIKey of 2-[[2-amino-1-(5-bromothiophen-2-yl)propyl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is CZMNVMMUBWIHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrF2N2OS/c1-7(15)11(8-2-3-9(12)18-8)16(4-5-17)6-10(13)14/h2-3,7,10-11,17H,4-6,15H2,1H3.
What are the key properties of 2-[[2-amino-1-(5-bromothiophen-2-yl)propyl]-(2,2-difluoroethyl)amino]ethanol?
2-[[2-amino-1-(5-bromothiophen-2-yl)propyl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 343.24 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(5-bromothiophen-2-yl)propyl]-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107478575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).