2,2,2-trifluoro-N-[4-fluoro-2-(fluoromethyl)-3-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]acetamide

C14H12F8N2O2 — CID 146238280

IUPAC2,2,2-trifluoro-N-[4-fluoro-2-(fluoromethyl)-3-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]acetamide
SMILESCC(Cc1c(F)ccc(NC(=O)C(F)(F)F)c1CF)NC(=O)C(F)(F)F
InChIInChI=1S/C14H12F8N2O2/c1-6(23-11(25)13(17,18)19)4-7-8(5-15)10(3-2-9(7)16)24-12(26)14(20,21)22/h2-3,6H,4-5H2,1H3,(H,23,25)(H,24,26)
InChIKeyVJCXEYLRDMDHAG-UHFFFAOYSA-N
MW392.25 g/mol
LogP3.41
Rot. Bonds5

About 2,2,2-trifluoro-N-[4-fluoro-2-(fluoromethyl)-3-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]acetamide

2,2,2-trifluoro-N-[4-fluoro-2-(fluoromethyl)-3-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]acetamide (PubChem CID 146238280) has the molecular formula C14H12F8N2O2 and a molecular weight of 392.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-fluoro-2-(fluoromethyl)-3-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-fluoro-2-(fluoromethyl)-3-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]acetamide
PubChem CID146238280
Molecular FormulaC14H12F8N2O2
Molecular Weight392.25 g/mol
Exact Mass392.08
IUPAC Name2,2,2-trifluoro-N-[4-fluoro-2-(fluoromethyl)-3-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]acetamide
SMILESCC(Cc1c(F)ccc(NC(=O)C(F)(F)F)c1CF)NC(=O)C(F)(F)F
InChIInChI=1S/C14H12F8N2O2/c1-6(23-11(25)13(17,18)19)4-7-8(5-15)10(3-2-9(7)16)24-12(26)14(20,21)22/h2-3,6H,4-5H2,1H3,(H,23,25)(H,24,26)
InChIKeyVJCXEYLRDMDHAG-UHFFFAOYSA-N
XLogP3.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-fluoro-2-(fluoromethyl)-3-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-fluoro-2-(fluoromethyl)-3-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]acetamide (CID 146238280) is 2,2,2-trifluoro-N-[4-fluoro-2-(fluoromethyl)-3-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-fluoro-2-(fluoromethyl)-3-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-fluoro-2-(fluoromethyl)-3-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]acetamide is CC(Cc1c(F)ccc(NC(=O)C(F)(F)F)c1CF)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-fluoro-2-(fluoromethyl)-3-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]acetamide?
The InChIKey is VJCXEYLRDMDHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F8N2O2/c1-6(23-11(25)13(17,18)19)4-7-8(5-15)10(3-2-9(7)16)24-12(26)14(20,21)22/h2-3,6H,4-5H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2,2,2-trifluoro-N-[4-fluoro-2-(fluoromethyl)-3-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]acetamide?
2,2,2-trifluoro-N-[4-fluoro-2-(fluoromethyl)-3-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]acetamide has a molecular weight of 392.25 g/mol, XLogP of 3.41, 5 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-fluoro-2-(fluoromethyl)-3-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]acetamide is sourced from PubChem (CID 146238280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).