2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone

C13H17F2NO3 — CID 107481149

IUPAC2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)CN(CCO)CC(F)F
InChIInChI=1S/C13H17F2NO3/c1-19-12-5-3-2-4-10(12)11(18)8-16(6-7-17)9-13(14)15/h2-5,13,17H,6-9H2,1H3
InChIKeyUDOKPEDFLALLTI-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.44
Rot. Bonds8

About 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone (PubChem CID 107481149) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone
PubChem CID107481149
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)CN(CCO)CC(F)F
InChIInChI=1S/C13H17F2NO3/c1-19-12-5-3-2-4-10(12)11(18)8-16(6-7-17)9-13(14)15/h2-5,13,17H,6-9H2,1H3
InChIKeyUDOKPEDFLALLTI-UHFFFAOYSA-N
XLogP1.44
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-hydroxypropyl(propan-2-yl)amino]-1-(2-methoxyphenyl)ethanone
CID 62030923
2-[ethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 62052022
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 62034936
2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]benzoic acid
CID 107480825
2-[1-hydroxypropan-2-yl(methyl)amino]-1-(2-methoxyphenyl)ethanone
CID 104552748
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methoxy-4-methylphenyl)ethanone
CID 107481289
2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076
N-formyl-N-[2-(2-methoxyphenyl)-2-oxoethyl]formamide
CID 86593207
1-(5-chlorothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
CID 107481222
N-(2-hydroxyethyl)-N-(2-hydroxypropyl)-2-methoxybenzamide
CID 112508973
1-(3-bromophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
CID 107481236

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone?
The IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone (CID 107481149) is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone?
The canonical SMILES for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone is COc1ccccc1C(=O)CN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone?
The InChIKey is UDOKPEDFLALLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c1-19-12-5-3-2-4-10(12)11(18)8-16(6-7-17)9-13(14)15/h2-5,13,17H,6-9H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone?
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone has a molecular weight of 273.28 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 107481149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).