2,2,2-trifluoro-N-phenylmethoxyacetamide

C9H8F3NO2 — CID 10867762

IUPAC2,2,2-trifluoro-N-phenylmethoxyacetamide
SMILESO=C(NOCc1ccccc1)C(F)(F)F
InChIInChI=1S/C9H8F3NO2/c10-9(11,12)8(14)13-15-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
InChIKeyDJZRCQGGHXXDKI-UHFFFAOYSA-N
MW219.16 g/mol
LogP1.80
Rot. Bonds3

About 2,2,2-trifluoro-N-phenylmethoxyacetamide

2,2,2-trifluoro-N-phenylmethoxyacetamide (PubChem CID 10867762) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-phenylmethoxyacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-phenylmethoxyacetamide
PubChem CID10867762
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Name2,2,2-trifluoro-N-phenylmethoxyacetamide
SMILESO=C(NOCc1ccccc1)C(F)(F)F
InChIInChI=1S/C9H8F3NO2/c10-9(11,12)8(14)13-15-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
InChIKeyDJZRCQGGHXXDKI-UHFFFAOYSA-N
XLogP1.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 51.80
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

CID 231398
CID 231398
CID 44423683
CID 44423683
CID 1484513
CID 1484513
CID 13352732
CID 13352732
CID 2737778
CID 2737778
CID 12390734
CID 12390734
CID 140555340
CID 140555340
CID 23400397
CID 23400397
CID 64974305
CID 64974305
CID 129705165
CID 129705165
CID 134886592
CID 134886592
CID 134993981
CID 134993981

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-phenylmethoxyacetamide?
The IUPAC name of 2,2,2-trifluoro-N-phenylmethoxyacetamide (CID 10867762) is 2,2,2-trifluoro-N-phenylmethoxyacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-phenylmethoxyacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-phenylmethoxyacetamide is O=C(NOCc1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-phenylmethoxyacetamide?
The InChIKey is DJZRCQGGHXXDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c10-9(11,12)8(14)13-15-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14).
What are the key properties of 2,2,2-trifluoro-N-phenylmethoxyacetamide?
2,2,2-trifluoro-N-phenylmethoxyacetamide has a molecular weight of 219.16 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-phenylmethoxyacetamide is sourced from PubChem (CID 10867762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).