N-[(2,4,6-trifluorophenyl)methyl]acetamide

C9H8F3NO — CID 110477322

IUPACN-[(2,4,6-trifluorophenyl)methyl]acetamide
SMILESCC(=O)NCc1c(F)cc(F)cc1F
InChIInChI=1S/C9H8F3NO/c1-5(14)13-4-7-8(11)2-6(10)3-9(7)12/h2-3H,4H2,1H3,(H,13,14)
InChIKeyVRZKDPPDSSZWPG-UHFFFAOYSA-N
MW203.16 g/mol
LogP1.74
Rot. Bonds2

About N-[(2,4,6-trifluorophenyl)methyl]acetamide

N-[(2,4,6-trifluorophenyl)methyl]acetamide (PubChem CID 110477322) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is N-[(2,4,6-trifluorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2,4,6-trifluorophenyl)methyl]acetamide
PubChem CID110477322
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC NameN-[(2,4,6-trifluorophenyl)methyl]acetamide
SMILESCC(=O)NCc1c(F)cc(F)cc1F
InChIInChI=1S/C9H8F3NO/c1-5(14)13-4-7-8(11)2-6(10)3-9(7)12/h2-3H,4H2,1H3,(H,13,14)
InChIKeyVRZKDPPDSSZWPG-UHFFFAOYSA-N
XLogP1.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,3-trimethyl-N-[(2,4,6-trifluorophenyl)methyl]butanamide
CID 174866073
2,4,6-trifluoro-N-(2-oxopropyl)benzamide
CID 65098730
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717933
methyl 2-(2,4,6-trifluorophenyl)acetate
CID 66608247
N-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110482303
N-[(2,3,5-trifluoro-4-hydroxyphenyl)methyl]acetamide
CID 142776330
N-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide
CID 107529852
N-[2-[(2,4-difluorophenyl)methylamino]ethyl]acetamide
CID 28684424
N-[2-[(2,6-difluorophenyl)methylamino]ethyl]acetamide
CID 28684466
N-[(3-amino-4-fluorophenyl)methyl]acetamide
CID 89277317
4-(acetamidomethyl)-N-(2,4-difluorophenyl)benzamide
CID 18195856

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,6-trifluorophenyl)methyl]acetamide?
The IUPAC name of N-[(2,4,6-trifluorophenyl)methyl]acetamide (CID 110477322) is N-[(2,4,6-trifluorophenyl)methyl]acetamide.
What is the SMILES notation for N-[(2,4,6-trifluorophenyl)methyl]acetamide?
The canonical SMILES for N-[(2,4,6-trifluorophenyl)methyl]acetamide is CC(=O)NCc1c(F)cc(F)cc1F.
What is the InChIKey of N-[(2,4,6-trifluorophenyl)methyl]acetamide?
The InChIKey is VRZKDPPDSSZWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO/c1-5(14)13-4-7-8(11)2-6(10)3-9(7)12/h2-3H,4H2,1H3,(H,13,14).
What are the key properties of N-[(2,4,6-trifluorophenyl)methyl]acetamide?
N-[(2,4,6-trifluorophenyl)methyl]acetamide has a molecular weight of 203.16 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,6-trifluorophenyl)methyl]acetamide is sourced from PubChem (CID 110477322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).