N'-ethenyl-2,2,2-trifluoro-N-methyl-N-propan-2-ylethanimidamide

C8H13F3N2 — CID 170067039

IUPACN'-ethenyl-2,2,2-trifluoro-N-methyl-N-propan-2-ylethanimidamide
SMILESC=C/N=C(\N(C)C(C)C)C(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-5-12-7(8(9,10)11)13(4)6(2)3/h5-6H,1H2,2-4H3/b12-7-
InChIKeyVJMHHWZNGVWVAY-GHXNOFRVSA-N
MW194.20 g/mol
LogP2.43
Rot. Bonds2

About N'-ethenyl-2,2,2-trifluoro-N-methyl-N-propan-2-ylethanimidamide

N'-ethenyl-2,2,2-trifluoro-N-methyl-N-propan-2-ylethanimidamide (PubChem CID 170067039) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is N'-ethenyl-2,2,2-trifluoro-N-methyl-N-propan-2-ylethanimidamide.

Molecular Properties

Compound NameN'-ethenyl-2,2,2-trifluoro-N-methyl-N-propan-2-ylethanimidamide
PubChem CID170067039
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC NameN'-ethenyl-2,2,2-trifluoro-N-methyl-N-propan-2-ylethanimidamide
SMILESC=C/N=C(\N(C)C(C)C)C(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-5-12-7(8(9,10)11)13(4)6(2)3/h5-6H,1H2,2-4H3/b12-7-
InChIKeyVJMHHWZNGVWVAY-GHXNOFRVSA-N
XLogP2.43
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-2,2,2-trifluoro-N-methyl-N-propan-2-ylethanimidamide?
The IUPAC name of N'-ethenyl-2,2,2-trifluoro-N-methyl-N-propan-2-ylethanimidamide (CID 170067039) is N'-ethenyl-2,2,2-trifluoro-N-methyl-N-propan-2-ylethanimidamide.
What is the SMILES notation for N'-ethenyl-2,2,2-trifluoro-N-methyl-N-propan-2-ylethanimidamide?
The canonical SMILES for N'-ethenyl-2,2,2-trifluoro-N-methyl-N-propan-2-ylethanimidamide is C=C/N=C(\N(C)C(C)C)C(F)(F)F.
What is the InChIKey of N'-ethenyl-2,2,2-trifluoro-N-methyl-N-propan-2-ylethanimidamide?
The InChIKey is VJMHHWZNGVWVAY-GHXNOFRVSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-5-12-7(8(9,10)11)13(4)6(2)3/h5-6H,1H2,2-4H3/b12-7-.
What are the key properties of N'-ethenyl-2,2,2-trifluoro-N-methyl-N-propan-2-ylethanimidamide?
N'-ethenyl-2,2,2-trifluoro-N-methyl-N-propan-2-ylethanimidamide has a molecular weight of 194.20 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-2,2,2-trifluoro-N-methyl-N-propan-2-ylethanimidamide is sourced from PubChem (CID 170067039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).