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

C9H12BrF2NOS — CID 103530000

IUPAC2-[(5-bromothiophen-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(Cc1ccc(Br)s1)CC(F)F
InChIInChI=1S/C9H12BrF2NOS/c10-8-2-1-7(15-8)5-13(3-4-14)6-9(11)12/h1-2,9,14H,3-6H2
InChIKeyKNVGKBKFERHQCU-UHFFFAOYSA-N
MW300.17 g/mol
LogP2.57
Rot. Bonds6

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

2-[(5-bromothiophen-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol (PubChem CID 103530000) has the molecular formula C9H12BrF2NOS and a molecular weight of 300.17 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
PubChem CID103530000
Molecular FormulaC9H12BrF2NOS
Molecular Weight300.17 g/mol
Exact Mass298.98
IUPAC Name2-[(5-bromothiophen-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(Cc1ccc(Br)s1)CC(F)F
InChIInChI=1S/C9H12BrF2NOS/c10-8-2-1-7(15-8)5-13(3-4-14)6-9(11)12/h1-2,9,14H,3-6H2
InChIKeyKNVGKBKFERHQCU-UHFFFAOYSA-N
XLogP2.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol (CID 103530000) is 2-[(5-bromothiophen-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol is OCCN(Cc1ccc(Br)s1)CC(F)F.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is KNVGKBKFERHQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrF2NOS/c10-8-2-1-7(15-8)5-13(3-4-14)6-9(11)12/h1-2,9,14H,3-6H2.
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
2-[(5-bromothiophen-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 300.17 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 103530000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).