N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide

C10H9F4NO — CID 20717933

IUPACN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H9F4NO/c1-6(16)15-5-7-2-8(10(12,13)14)4-9(11)3-7/h2-4H,5H2,1H3,(H,15,16)
InChIKeyXBNURYXWMUVLQL-UHFFFAOYSA-N
MW235.18 g/mol
LogP2.48
Rot. Bonds2

About N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide

N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 20717933) has the molecular formula C10H9F4NO and a molecular weight of 235.18 g/mol. Its IUPAC name is N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID20717933
Molecular FormulaC10H9F4NO
Molecular Weight235.18 g/mol
Exact Mass235.06
IUPAC NameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H9F4NO/c1-6(16)15-5-7-2-8(10(12,13)14)4-9(11)3-7/h2-4H,5H2,1H3,(H,15,16)
InChIKeyXBNURYXWMUVLQL-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717935
2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 58597427
1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-one
CID 70064729
2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N,N-dimethylacetamide
CID 115282718
2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-propan-2-ylacetamide
CID 115282732
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide
CID 115282805
methyl 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanoate
CID 115350555
(2S)-2-amino-3-[3-fluoro-5-(trifluoromethyl)phenyl]propanoic acid
CID 79016437
(2R)-3,3,3-trifluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-phenylpropanamide
CID 143689186
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115350323

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide (CID 20717933) is N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide is CC(=O)NCc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is XBNURYXWMUVLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO/c1-6(16)15-5-7-2-8(10(12,13)14)4-9(11)3-7/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide?
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 235.18 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 20717933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).