2-[2-(2-ethoxyphenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol

C14H20F3NO3 — CID 103864883

IUPAC2-[2-(2-ethoxyphenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCOc1ccccc1OCCN(CCO)CC(F)(F)F
InChIInChI=1S/C14H20F3NO3/c1-2-20-12-5-3-4-6-13(12)21-10-8-18(7-9-19)11-14(15,16)17/h3-6,19H,2,7-11H2,1H3
InChIKeyYTFDCJKBQNWNLB-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.32
Rot. Bonds9

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

2-[2-(2-ethoxyphenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103864883) has the molecular formula C14H20F3NO3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-[2-(2-ethoxyphenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-(2-ethoxyphenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103864883
Molecular FormulaC14H20F3NO3
Molecular Weight307.31 g/mol
Exact Mass307.14
IUPAC Name2-[2-(2-ethoxyphenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCOc1ccccc1OCCN(CCO)CC(F)(F)F
InChIInChI=1S/C14H20F3NO3/c1-2-20-12-5-3-4-6-13(12)21-10-8-18(7-9-19)11-14(15,16)17/h3-6,19H,2,7-11H2,1H3
InChIKeyYTFDCJKBQNWNLB-UHFFFAOYSA-N
XLogP2.32
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,2-difluoroethyl-[2-(2-ethoxyphenoxy)ethyl]amino]ethanol
CID 107485528
N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(2-methoxyphenoxy)ethyl]ethanamine
CID 107488340
2-[2-(3-chlorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107485888
2-ethoxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107483427
2-[2-methoxyethyl-[2-(2-methoxyphenoxy)ethyl]amino]ethanol
CID 115613810
4-(2-ethoxyphenoxy)-2,2-dimethylbutan-1-ol
CID 66024501
2-[2-(2-chlorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258602
3-bromo-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylpropan-1-amine
CID 114230687
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 107487245
2-[ethyl-[2-(2-nitrophenoxy)ethyl]amino]ethanol
CID 60509442
2-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile
CID 61234483
2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline
CID 60892311

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyphenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[2-(2-ethoxyphenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 103864883) is 2-[2-(2-ethoxyphenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[2-(2-ethoxyphenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[2-(2-ethoxyphenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol is CCOc1ccccc1OCCN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[2-(2-ethoxyphenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is YTFDCJKBQNWNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO3/c1-2-20-12-5-3-4-6-13(12)21-10-8-18(7-9-19)11-14(15,16)17/h3-6,19H,2,7-11H2,1H3.
What are the key properties of 2-[2-(2-ethoxyphenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[2-(2-ethoxyphenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 307.31 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyphenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103864883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).