2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methoxy-4-methylphenyl)ethanone

C14H18F3NO3 — CID 107481289

IUPAC2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C)ccc1C(=O)CN(CCO)CC(F)(F)F
InChIInChI=1S/C14H18F3NO3/c1-10-3-4-11(13(7-10)21-2)12(20)8-18(5-6-19)9-14(15,16)17/h3-4,7,19H,5-6,8-9H2,1-2H3
InChIKeyWZDOLWLUBIZGNS-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.04
Rot. Bonds7

About 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methoxy-4-methylphenyl)ethanone

2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methoxy-4-methylphenyl)ethanone (PubChem CID 107481289) has the molecular formula C14H18F3NO3 and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methoxy-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methoxy-4-methylphenyl)ethanone
PubChem CID107481289
Molecular FormulaC14H18F3NO3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C)ccc1C(=O)CN(CCO)CC(F)(F)F
InChIInChI=1S/C14H18F3NO3/c1-10-3-4-11(13(7-10)21-2)12(20)8-18(5-6-19)9-14(15,16)17/h3-4,7,19H,5-6,8-9H2,1-2H3
InChIKeyWZDOLWLUBIZGNS-UHFFFAOYSA-N
XLogP2.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanone
CID 107481321
2-[2-(dimethylamino)ethyl-methylamino]-1-(2-methoxy-4-methylphenyl)ethanone
CID 63700393
2-[ethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 62052022
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 107481149
N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide
CID 107478740
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 107486425
2-[(3,4-dimethoxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107485867
2-[2-(2-methoxyethoxy)ethoxy]-1-(2-methoxy-4-methylphenyl)ethanone
CID 104563929
2-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]sulfanyl-N,N-dimethylacetamide
CID 114234153
2-[N-(2-hydroxyethyl)-2-methoxy-4-methylanilino]ethanol
CID 163824438
N-(2-chloroethyl)-2-methoxy-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492183
2-(3,5-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790381

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methoxy-4-methylphenyl)ethanone?
The IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methoxy-4-methylphenyl)ethanone (CID 107481289) is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methoxy-4-methylphenyl)ethanone.
What is the SMILES notation for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methoxy-4-methylphenyl)ethanone?
The canonical SMILES for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methoxy-4-methylphenyl)ethanone is COc1cc(C)ccc1C(=O)CN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methoxy-4-methylphenyl)ethanone?
The InChIKey is WZDOLWLUBIZGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO3/c1-10-3-4-11(13(7-10)21-2)12(20)8-18(5-6-19)9-14(15,16)17/h3-4,7,19H,5-6,8-9H2,1-2H3.
What are the key properties of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methoxy-4-methylphenyl)ethanone?
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methoxy-4-methylphenyl)ethanone has a molecular weight of 305.30 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methoxy-4-methylphenyl)ethanone is sourced from PubChem (CID 107481289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).