2-[2-(3-chlorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol

C12H15ClF3NO2 — CID 107485888

IUPAC2-[2-(3-chlorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CCOc1cccc(Cl)c1)CC(F)(F)F
InChIInChI=1S/C12H15ClF3NO2/c13-10-2-1-3-11(8-10)19-7-5-17(4-6-18)9-12(14,15)16/h1-3,8,18H,4-7,9H2
InChIKeyFGIKNVSCPSUVJB-UHFFFAOYSA-N
MW297.70 g/mol
LogP2.58
Rot. Bonds7

About 2-[2-(3-chlorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[2-(3-chlorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107485888) has the molecular formula C12H15ClF3NO2 and a molecular weight of 297.70 g/mol. Its IUPAC name is 2-[2-(3-chlorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-(3-chlorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107485888
Molecular FormulaC12H15ClF3NO2
Molecular Weight297.70 g/mol
Exact Mass297.07
IUPAC Name2-[2-(3-chlorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CCOc1cccc(Cl)c1)CC(F)(F)F
InChIInChI=1S/C12H15ClF3NO2/c13-10-2-1-3-11(8-10)19-7-5-17(4-6-18)9-12(14,15)16/h1-3,8,18H,4-7,9H2
InChIKeyFGIKNVSCPSUVJB-UHFFFAOYSA-N
XLogP2.58
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.70
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 103857303
1-[2-(3-chlorophenoxy)ethyl-ethylamino]-2-methylpropan-2-ol
CID 79389653
2-[2-(2-ethoxyphenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864883
N-(2-bromoethyl)-2-(3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 107492685
methyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62954669
2-[2-(3-chlorophenoxy)ethoxy]ethanol
CID 10443322
N'-[2-(3-chlorophenoxy)ethyl]-N'-ethylethane-1,2-diamine
CID 103102306
N-[2-[3-(methylaminomethyl)phenoxy]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62426299
2-[2-(3-chlorophenoxy)ethylsulfanyl]ethanol
CID 43416970
1-[2-(3-chlorophenoxy)ethyl]-1,2-dimethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111985177
2-[[2-(3-chlorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265064
N'-benzyl-N'-[2-(3-chlorophenoxy)ethyl]ethane-1,2-diamine
CID 104859131

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[2-(3-chlorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107485888) is 2-[2-(3-chlorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[2-(3-chlorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[2-(3-chlorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol is OCCN(CCOc1cccc(Cl)c1)CC(F)(F)F.
What is the InChIKey of 2-[2-(3-chlorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is FGIKNVSCPSUVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3NO2/c13-10-2-1-3-11(8-10)19-7-5-17(4-6-18)9-12(14,15)16/h1-3,8,18H,4-7,9H2.
What are the key properties of 2-[2-(3-chlorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[2-(3-chlorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 297.70 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107485888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).