ethanol;ethene;N'-methyl-4-(trifluoromethyl)benzenecarboximidamide

C13H19F3N2O — CID 142940713

IUPACethanol;ethene;N'-methyl-4-(trifluoromethyl)benzenecarboximidamide
SMILESC/N=C(\N)c1ccc(C(F)(F)F)cc1.C=C.CCO
InChIInChI=1S/C9H9F3N2.C2H6O.C2H4/c1-14-8(13)6-2-4-7(5-3-6)9(10,11)12;1-2-3;1-2/h2-5H,1H3,(H2,13,14);3H,2H2,1H3;1-2H2
InChIKeyWEQMQZCKGNFHMI-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.84
Rot. Bonds1

About ethanol;ethene;N'-methyl-4-(trifluoromethyl)benzenecarboximidamide

ethanol;ethene;N'-methyl-4-(trifluoromethyl)benzenecarboximidamide (PubChem CID 142940713) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is ethanol;ethene;N'-methyl-4-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Nameethanol;ethene;N'-methyl-4-(trifluoromethyl)benzenecarboximidamide
PubChem CID142940713
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Nameethanol;ethene;N'-methyl-4-(trifluoromethyl)benzenecarboximidamide
SMILESC/N=C(\N)c1ccc(C(F)(F)F)cc1.C=C.CCO
InChIInChI=1S/C9H9F3N2.C2H6O.C2H4/c1-14-8(13)6-2-4-7(5-3-6)9(10,11)12;1-2-3;1-2/h2-5H,1H3,(H2,13,14);3H,2H2,1H3;1-2H2
InChIKeyWEQMQZCKGNFHMI-UHFFFAOYSA-N
XLogP2.84
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethanol;ethene;N'-methyl-4-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of ethanol;ethene;N'-methyl-4-(trifluoromethyl)benzenecarboximidamide (CID 142940713) is ethanol;ethene;N'-methyl-4-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for ethanol;ethene;N'-methyl-4-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for ethanol;ethene;N'-methyl-4-(trifluoromethyl)benzenecarboximidamide is C/N=C(\N)c1ccc(C(F)(F)F)cc1.C=C.CCO.
What is the InChIKey of ethanol;ethene;N'-methyl-4-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is WEQMQZCKGNFHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2.C2H6O.C2H4/c1-14-8(13)6-2-4-7(5-3-6)9(10,11)12;1-2-3;1-2/h2-5H,1H3,(H2,13,14);3H,2H2,1H3;1-2H2.
What are the key properties of ethanol;ethene;N'-methyl-4-(trifluoromethyl)benzenecarboximidamide?
ethanol;ethene;N'-methyl-4-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 276.30 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;ethene;N'-methyl-4-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 142940713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).