2-[[2-amino-1-(5-chlorothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol

C10H15ClF2N2OS — CID 107478599

IUPAC2-[[2-amino-1-(5-chlorothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol
SMILESNCC(c1ccc(Cl)s1)N(CCO)CC(F)F
InChIInChI=1S/C10H15ClF2N2OS/c11-9-2-1-8(17-9)7(5-14)15(3-4-16)6-10(12)13/h1-2,7,10,16H,3-6,14H2
InChIKeyCCOLIGHOZMCSLE-UHFFFAOYSA-N
MW284.76 g/mol
LogP1.96
Rot. Bonds7

About 2-[[2-amino-1-(5-chlorothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol

2-[[2-amino-1-(5-chlorothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107478599) has the molecular formula C10H15ClF2N2OS and a molecular weight of 284.76 g/mol. Its IUPAC name is 2-[[2-amino-1-(5-chlorothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-1-(5-chlorothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107478599
Molecular FormulaC10H15ClF2N2OS
Molecular Weight284.76 g/mol
Exact Mass284.06
IUPAC Name2-[[2-amino-1-(5-chlorothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol
SMILESNCC(c1ccc(Cl)s1)N(CCO)CC(F)F
InChIInChI=1S/C10H15ClF2N2OS/c11-9-2-1-8(17-9)7(5-14)15(3-4-16)6-10(12)13/h1-2,7,10,16H,3-6,14H2
InChIKeyCCOLIGHOZMCSLE-UHFFFAOYSA-N
XLogP1.96
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
CID 54945275
N-butyl-1-(5-chlorothiophen-2-yl)-N-ethylethane-1,2-diamine
CID 43146891
2-[[2-amino-1-(5-bromothiophen-2-yl)propyl]-(2,2-difluoroethyl)amino]ethanol
CID 107478575
1-(5-chlorothiophen-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 55002445
1-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79849962
1-(5-chlorothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
CID 107481222
1-(5-chlorothiophen-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206934
1-(5-chlorothiophen-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 43329248
3-[2-amino-1-(5-chlorothiophen-2-yl)ethyl]sulfanylpropan-1-ol
CID 66115413
1-(5-chlorothiophen-2-yl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
CID 54983977
3-(5-chlorothiophen-2-yl)butan-1-ol
CID 82075571
2-[[2-amino-1-(2-chlorophenyl)ethyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478830

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(5-chlorothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[2-amino-1-(5-chlorothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol (CID 107478599) is 2-[[2-amino-1-(5-chlorothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-amino-1-(5-chlorothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[2-amino-1-(5-chlorothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol is NCC(c1ccc(Cl)s1)N(CCO)CC(F)F.
What is the InChIKey of 2-[[2-amino-1-(5-chlorothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is CCOLIGHOZMCSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF2N2OS/c11-9-2-1-8(17-9)7(5-14)15(3-4-16)6-10(12)13/h1-2,7,10,16H,3-6,14H2.
What are the key properties of 2-[[2-amino-1-(5-chlorothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol?
2-[[2-amino-1-(5-chlorothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 284.76 g/mol, XLogP of 1.96, 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-chlorothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107478599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).