N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide

C12H14F3NO3 — CID 60583798

IUPACN-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
SMILESCC(=O)NCC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO3/c1-8(17)16-6-10(18)7-19-11-4-2-9(3-5-11)12(13,14)15/h2-5,10,18H,6-7H2,1H3,(H,16,17)
InChIKeyMECDOMYVFUYDBB-UHFFFAOYSA-N
MW277.24 g/mol
LogP1.58
Rot. Bonds5

About N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide

N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide (PubChem CID 60583798) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
PubChem CID60583798
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC NameN-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
SMILESCC(=O)NCC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO3/c1-8(17)16-6-10(18)7-19-11-4-2-9(3-5-11)12(13,14)15/h2-5,10,18H,6-7H2,1H3,(H,16,17)
InChIKeyMECDOMYVFUYDBB-UHFFFAOYSA-N
XLogP1.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-(methylamino)butanamide
CID 119751739
(2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-methylpentanamide
CID 119751777
1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 115475984
1-cyclopropyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]urea
CID 110904584
N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanecarboxamide
CID 94678482
2-hydroxy-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]benzamide
CID 60583885
2-(4-aminophenyl)-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
CID 119751737
N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]thiophene-2-carboxamide
CID 94678499
2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylpropanamide;hydrochloride
CID 120590377
1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
CID 70134512
1-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 52501992
4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241739

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide?
The IUPAC name of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide (CID 60583798) is N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide?
The canonical SMILES for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide is CC(=O)NCC(O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide?
The InChIKey is MECDOMYVFUYDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-8(17)16-6-10(18)7-19-11-4-2-9(3-5-11)12(13,14)15/h2-5,10,18H,6-7H2,1H3,(H,16,17).
What are the key properties of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide?
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide has a molecular weight of 277.24 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide is sourced from PubChem (CID 60583798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).