2,2,2-trifluoro-N-[1-(4-hydroxy-2,6-dimethylphenoxy)propan-2-yl]acetamide

C13H16F3NO3 — CID 586542

IUPAC2,2,2-trifluoro-N-[1-(4-hydroxy-2,6-dimethylphenoxy)propan-2-yl]acetamide
SMILESCc1cc(O)cc(C)c1OCC(C)NC(=O)C(F)(F)F
InChIInChI=1S/C13H16F3NO3/c1-7-4-10(18)5-8(2)11(7)20-6-9(3)17-12(19)13(14,15)16/h4-5,9,18H,6H2,1-3H3,(H,17,19)
InChIKeyQEVMKKUUEMZSAV-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.45
Rot. Bonds4

About 2,2,2-trifluoro-N-[1-(4-hydroxy-2,6-dimethylphenoxy)propan-2-yl]acetamide

2,2,2-trifluoro-N-[1-(4-hydroxy-2,6-dimethylphenoxy)propan-2-yl]acetamide (PubChem CID 586542) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(4-hydroxy-2,6-dimethylphenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(4-hydroxy-2,6-dimethylphenoxy)propan-2-yl]acetamide
PubChem CID586542
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Name2,2,2-trifluoro-N-[1-(4-hydroxy-2,6-dimethylphenoxy)propan-2-yl]acetamide
SMILESCc1cc(O)cc(C)c1OCC(C)NC(=O)C(F)(F)F
InChIInChI=1S/C13H16F3NO3/c1-7-4-10(18)5-8(2)11(7)20-6-9(3)17-12(19)13(14,15)16/h4-5,9,18H,6H2,1-3H3,(H,17,19)
InChIKeyQEVMKKUUEMZSAV-UHFFFAOYSA-N
XLogP2.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide
CID 86592663
tert-butyl N-[1-[2,6-dimethyl-4-(2,2,3,3-tetrafluoropropanoyl)phenoxy]propan-2-yl]carbamate
CID 138756094
N-[1-(4-cyano-2,6-dimethylphenoxy)propan-2-yl]acetamide
CID 165436416
N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide
CID 100760780
1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-propan-2-ylphenyl)urea
CID 3871734
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119745978
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide
CID 139460648
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928
1-(2-tert-butyl-6-methylphenyl)-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea
CID 3820122
2-amino-3,3,3-trifluoro-2-methyl-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 79793690
2,2,2-trifluoro-N-[(2R)-2-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 7038847
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride
CID 164614215

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(4-hydroxy-2,6-dimethylphenoxy)propan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(4-hydroxy-2,6-dimethylphenoxy)propan-2-yl]acetamide (CID 586542) is 2,2,2-trifluoro-N-[1-(4-hydroxy-2,6-dimethylphenoxy)propan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(4-hydroxy-2,6-dimethylphenoxy)propan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(4-hydroxy-2,6-dimethylphenoxy)propan-2-yl]acetamide is Cc1cc(O)cc(C)c1OCC(C)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(4-hydroxy-2,6-dimethylphenoxy)propan-2-yl]acetamide?
The InChIKey is QEVMKKUUEMZSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-7-4-10(18)5-8(2)11(7)20-6-9(3)17-12(19)13(14,15)16/h4-5,9,18H,6H2,1-3H3,(H,17,19).
What are the key properties of 2,2,2-trifluoro-N-[1-(4-hydroxy-2,6-dimethylphenoxy)propan-2-yl]acetamide?
2,2,2-trifluoro-N-[1-(4-hydroxy-2,6-dimethylphenoxy)propan-2-yl]acetamide has a molecular weight of 291.27 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(4-hydroxy-2,6-dimethylphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 586542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).