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

C12H14F3NO — CID 115190239

IUPAC2,2,2-trifluoro-N-[(4-propylphenyl)methyl]acetamide
SMILESCCCc1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO/c1-2-3-9-4-6-10(7-5-9)8-16-11(17)12(13,14)15/h4-7H,2-3,8H2,1H3,(H,16,17)
InChIKeyHNEYDSLZEPKFTG-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.82
Rot. Bonds4

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

2,2,2-trifluoro-N-[(4-propylphenyl)methyl]acetamide (PubChem CID 115190239) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-propylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-propylphenyl)methyl]acetamide
PubChem CID115190239
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name2,2,2-trifluoro-N-[(4-propylphenyl)methyl]acetamide
SMILESCCCc1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO/c1-2-3-9-4-6-10(7-5-9)8-16-11(17)12(13,14)15/h4-7H,2-3,8H2,1H3,(H,16,17)
InChIKeyHNEYDSLZEPKFTG-UHFFFAOYSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoroacetamide
CID 62489903
2,2,2-trifluoro-N-[(4-methylsulfonylphenyl)methyl]acetamide
CID 62728038
methyl N-[(4-propylphenyl)methyl]carbamate
CID 110780430
2,2,2-trifluoro-N-[[4-[1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]methyl]acetamide
CID 75503881
3-oxo-3-[(4-propylphenyl)methylamino]propanoic acid
CID 115163381
2-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
CID 108933949
tert-butyl 4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzoate
CID 129218173
[[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]methylamino] formate
CID 118941389
3-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 108933613
2,2,2-trifluoro-N-[2-(4-propanoylphenyl)ethyl]acetamide
CID 57296109
3-methyl-4-oxo-4-[(4-propylphenyl)methylamino]butanoic acid
CID 115164577
2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108933950

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-propylphenyl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(4-propylphenyl)methyl]acetamide (CID 115190239) is 2,2,2-trifluoro-N-[(4-propylphenyl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-propylphenyl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-propylphenyl)methyl]acetamide is CCCc1ccc(CNC(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-propylphenyl)methyl]acetamide?
The InChIKey is HNEYDSLZEPKFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-2-3-9-4-6-10(7-5-9)8-16-11(17)12(13,14)15/h4-7H,2-3,8H2,1H3,(H,16,17).
What are the key properties of 2,2,2-trifluoro-N-[(4-propylphenyl)methyl]acetamide?
2,2,2-trifluoro-N-[(4-propylphenyl)methyl]acetamide has a molecular weight of 245.24 g/mol, XLogP of 2.82, 4 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-propylphenyl)methyl]acetamide is sourced from PubChem (CID 115190239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).