N-[4-(trifluoromethyl)phenoxy]acetamide

C9H8F3NO2 — CID 162546353

IUPACN-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCC(=O)NOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H8F3NO2/c1-6(14)13-15-8-4-2-7(3-5-8)9(10,11)12/h2-5H,1H3,(H,13,14)
InChIKeyGXXGOSWDJHEKSC-UHFFFAOYSA-N
MW219.16 g/mol
LogP2.14
Rot. Bonds2

About N-[4-(trifluoromethyl)phenoxy]acetamide

N-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 162546353) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID162546353
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC NameN-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCC(=O)NOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H8F3NO2/c1-6(14)13-15-8-4-2-7(3-5-8)9(10,11)12/h2-5H,1H3,(H,13,14)
InChIKeyGXXGOSWDJHEKSC-UHFFFAOYSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-tert-butylphenyl) [4-(trifluoromethyl)phenyl] carbonate
CID 70424353
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
CID 60583798
N-(4-cyanophenoxy)acetamide
CID 174609340
(E)-2-cyano-3-hydroxy-4-methyl-N-[4-(trifluoromethyl)phenoxy]pent-2-enamide
CID 87590365
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 162567943
[4-(trifluoromethyl)phenyl] carbonofluoridate
CID 10774714
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 12905997
N-methyl-4-[4-(trifluoromethyl)phenoxy]benzamide
CID 146305988
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
(E)-2-cyano-3-hydroxy-3-(2,2,3,3-tetramethylcyclopropyl)-N-[4-(trifluoromethyl)phenoxy]prop-2-enamide
CID 87588866
methyl (Z)-2-[4-(trifluoromethyl)phenoxy]but-2-enoate
CID 132597599

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[4-(trifluoromethyl)phenoxy]acetamide (CID 162546353) is N-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[4-(trifluoromethyl)phenoxy]acetamide is CC(=O)NOc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is GXXGOSWDJHEKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c1-6(14)13-15-8-4-2-7(3-5-8)9(10,11)12/h2-5H,1H3,(H,13,14).
What are the key properties of N-[4-(trifluoromethyl)phenoxy]acetamide?
N-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 219.16 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 162546353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).