2,2,2-trifluoro-N-[[4-[1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]methyl]acetamide

C13H12F6N2O2 — CID 75503881

IUPAC2,2,2-trifluoro-N-[[4-[1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]methyl]acetamide
SMILESCC(NC(=O)C(F)(F)F)c1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C13H12F6N2O2/c1-7(21-11(23)13(17,18)19)9-4-2-8(3-5-9)6-20-10(22)12(14,15)16/h2-5,7H,6H2,1H3,(H,20,22)(H,21,23)
InChIKeyAMLAUGQQELLSQP-UHFFFAOYSA-N
MW342.24 g/mol
LogP2.60
Rot. Bonds4

About 2,2,2-trifluoro-N-[[4-[1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]methyl]acetamide

2,2,2-trifluoro-N-[[4-[1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]methyl]acetamide (PubChem CID 75503881) has the molecular formula C13H12F6N2O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[4-[1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[4-[1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]methyl]acetamide
PubChem CID75503881
Molecular FormulaC13H12F6N2O2
Molecular Weight342.24 g/mol
Exact Mass342.08
IUPAC Name2,2,2-trifluoro-N-[[4-[1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]methyl]acetamide
SMILESCC(NC(=O)C(F)(F)F)c1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C13H12F6N2O2/c1-7(21-11(23)13(17,18)19)9-4-2-8(3-5-9)6-20-10(22)12(14,15)16/h2-5,7H,6H2,1H3,(H,20,22)(H,21,23)
InChIKeyAMLAUGQQELLSQP-UHFFFAOYSA-N
XLogP2.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]acetamide
CID 21035206
2,2,2-trifluoro-N-[(4-propylphenyl)methyl]acetamide
CID 115190239
N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoroacetamide
CID 62489903
3-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 108933613
2,2,2-trifluoro-N-[(4-methylsulfonylphenyl)methyl]acetamide
CID 62728038
2-amino-3,3,3-trifluoro-2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 79811205
N-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide
CID 62490766
2,2,2-trifluoro-N-[(1S)-1-[4-(3-methoxypropanoyl)phenyl]ethyl]acetamide
CID 135125596
2-(4-propan-2-ylphenoxy)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
CID 108933715
N-[1-[4-(4-chlorophenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide
CID 21035256
N-[(1S)-1-[4-(4-chlorophenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide
CID 58651376
N-[(1S)-1-[4-(4-cyclopropylphenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide
CID 58651389

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[4-[1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[4-[1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]methyl]acetamide (CID 75503881) is 2,2,2-trifluoro-N-[[4-[1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[4-[1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[4-[1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]methyl]acetamide is CC(NC(=O)C(F)(F)F)c1ccc(CNC(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[[4-[1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]methyl]acetamide?
The InChIKey is AMLAUGQQELLSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F6N2O2/c1-7(21-11(23)13(17,18)19)9-4-2-8(3-5-9)6-20-10(22)12(14,15)16/h2-5,7H,6H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2,2,2-trifluoro-N-[[4-[1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]methyl]acetamide?
2,2,2-trifluoro-N-[[4-[1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]methyl]acetamide has a molecular weight of 342.24 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[4-[1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]methyl]acetamide is sourced from PubChem (CID 75503881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).