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

C10H6F6N2O2 — CID 5013683

IUPAC2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
SMILESO=C(Nc1ccc(NC(=O)C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C10H6F6N2O2/c11-9(12,13)7(19)17-5-1-2-6(4-3-5)18-8(20)10(14,15)16/h1-4H,(H,17,19)(H,18,20)
InChIKeyIRUADIGSCKQVHY-UHFFFAOYSA-N
MW300.16 g/mol
LogP2.69
Rot. Bonds2

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

2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide (PubChem CID 5013683) has the molecular formula C10H6F6N2O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
PubChem CID5013683
Molecular FormulaC10H6F6N2O2
Molecular Weight300.16 g/mol
Exact Mass300.03
IUPAC Name2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
SMILESO=C(Nc1ccc(NC(=O)C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C10H6F6N2O2/c11-9(12,13)7(19)17-5-1-2-6(4-3-5)18-8(20)10(14,15)16/h1-4H,(H,17,19)(H,18,20)
InChIKeyIRUADIGSCKQVHY-UHFFFAOYSA-N
XLogP2.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid
CID 18543052
4-[(2,2,2-trifluoroacetyl)amino]phenolate
CID 171407160
2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 3688505
N-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 130770723
2,2,2-trifluoro-N-pyridin-4-ylacetamide
CID 4095205
N-[4-(chloromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 117275285
2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
CID 108933208
2,2,2-trifluoro-N-(4-nitrophenyl)acetamide
CID 616367
2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 141369710
N-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide
CID 131852564
2,3-difluoro-3-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enoic acid
CID 71391668
N-[3,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 19958570

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide (CID 5013683) is 2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide is O=C(Nc1ccc(NC(=O)C(F)(F)F)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide?
The InChIKey is IRUADIGSCKQVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6N2O2/c11-9(12,13)7(19)17-5-1-2-6(4-3-5)18-8(20)10(14,15)16/h1-4H,(H,17,19)(H,18,20).
What are the key properties of 2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide?
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide has a molecular weight of 300.16 g/mol, XLogP of 2.69, 2 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-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide is sourced from PubChem (CID 5013683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).