2,2,2-trifluoro-N-[(4-fluorophenyl)methyl]acetamide

C9H7F4NO — CID 572844

IUPAC2,2,2-trifluoro-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(NCc1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C9H7F4NO/c10-7-3-1-6(2-4-7)5-14-8(15)9(11,12)13/h1-4H,5H2,(H,14,15)
InChIKeyNFBVACBHJWDSQC-UHFFFAOYSA-N
MW221.15 g/mol
LogP2.00
Rot. Bonds2

About 2,2,2-trifluoro-N-[(4-fluorophenyl)methyl]acetamide

2,2,2-trifluoro-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 572844) has the molecular formula C9H7F4NO and a molecular weight of 221.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID572844
Molecular FormulaC9H7F4NO
Molecular Weight221.15 g/mol
Exact Mass221.05
IUPAC Name2,2,2-trifluoro-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(NCc1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C9H7F4NO/c10-7-3-1-6(2-4-7)5-14-8(15)9(11,12)13/h1-4H,5H2,(H,14,15)
InChIKeyNFBVACBHJWDSQC-UHFFFAOYSA-N
XLogP2.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.15
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(4-fluorophenyl)methyl]acetamide (CID 572844) is 2,2,2-trifluoro-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-fluorophenyl)methyl]acetamide is O=C(NCc1ccc(F)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is NFBVACBHJWDSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F4NO/c10-7-3-1-6(2-4-7)5-14-8(15)9(11,12)13/h1-4H,5H2,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N-[(4-fluorophenyl)methyl]acetamide?
2,2,2-trifluoro-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 221.15 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 572844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).