N-[3-methyl-2,2,5,5-tetrakis(trifluoromethyl)imidazolidin-4-ylidene]acetamide

C10H7F12N3O — CID 154111651

IUPACN-[3-methyl-2,2,5,5-tetrakis(trifluoromethyl)imidazolidin-4-ylidene]acetamide
SMILESCC(=O)/N=C1\N(C)C(C(F)(F)F)(C(F)(F)F)NC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H7F12N3O/c1-3(26)23-4-5(7(11,12)13,8(14,15)16)24-6(25(4)2,9(17,18)19)10(20,21)22/h24H,1-2H3/b23-4-
InChIKeyNJYZKONBRUPJNG-WVHIBCRRSA-N
MW413.16 g/mol
LogP3.15
Rot. Bonds

About N-[3-methyl-2,2,5,5-tetrakis(trifluoromethyl)imidazolidin-4-ylidene]acetamide

N-[3-methyl-2,2,5,5-tetrakis(trifluoromethyl)imidazolidin-4-ylidene]acetamide (PubChem CID 154111651) has the molecular formula C10H7F12N3O and a molecular weight of 413.16 g/mol. Its IUPAC name is N-[3-methyl-2,2,5,5-tetrakis(trifluoromethyl)imidazolidin-4-ylidene]acetamide.

Molecular Properties

Compound NameN-[3-methyl-2,2,5,5-tetrakis(trifluoromethyl)imidazolidin-4-ylidene]acetamide
PubChem CID154111651
Molecular FormulaC10H7F12N3O
Molecular Weight413.16 g/mol
Exact Mass413.04
IUPAC NameN-[3-methyl-2,2,5,5-tetrakis(trifluoromethyl)imidazolidin-4-ylidene]acetamide
SMILESCC(=O)/N=C1\N(C)C(C(F)(F)F)(C(F)(F)F)NC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H7F12N3O/c1-3(26)23-4-5(7(11,12)13,8(14,15)16)24-6(25(4)2,9(17,18)19)10(20,21)22/h24H,1-2H3/b23-4-
InChIKeyNJYZKONBRUPJNG-WVHIBCRRSA-N
XLogP3.15
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.16
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2,2,5,5-tetrakis(trifluoromethyl)imidazolidin-4-ylidene]acetamide?
The IUPAC name of N-[3-methyl-2,2,5,5-tetrakis(trifluoromethyl)imidazolidin-4-ylidene]acetamide (CID 154111651) is N-[3-methyl-2,2,5,5-tetrakis(trifluoromethyl)imidazolidin-4-ylidene]acetamide.
What is the SMILES notation for N-[3-methyl-2,2,5,5-tetrakis(trifluoromethyl)imidazolidin-4-ylidene]acetamide?
The canonical SMILES for N-[3-methyl-2,2,5,5-tetrakis(trifluoromethyl)imidazolidin-4-ylidene]acetamide is CC(=O)/N=C1\N(C)C(C(F)(F)F)(C(F)(F)F)NC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[3-methyl-2,2,5,5-tetrakis(trifluoromethyl)imidazolidin-4-ylidene]acetamide?
The InChIKey is NJYZKONBRUPJNG-WVHIBCRRSA-N. The full InChI is InChI=1S/C10H7F12N3O/c1-3(26)23-4-5(7(11,12)13,8(14,15)16)24-6(25(4)2,9(17,18)19)10(20,21)22/h24H,1-2H3/b23-4-.
What are the key properties of N-[3-methyl-2,2,5,5-tetrakis(trifluoromethyl)imidazolidin-4-ylidene]acetamide?
N-[3-methyl-2,2,5,5-tetrakis(trifluoromethyl)imidazolidin-4-ylidene]acetamide has a molecular weight of 413.16 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2,2,5,5-tetrakis(trifluoromethyl)imidazolidin-4-ylidene]acetamide is sourced from PubChem (CID 154111651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).