N'-ethyl-N'-(2-methylprop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C10H19F3N2 — CID 79261020

IUPACN'-ethyl-N'-(2-methylprop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESC=C(C)CN(CC)CCNCC(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-4-15(7-9(2)3)6-5-14-8-10(11,12)13/h14H,2,4-8H2,1,3H3
InChIKeyVZPUFEXYYJQPOR-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.04
Rot. Bonds7

About N'-ethyl-N'-(2-methylprop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-ethyl-N'-(2-methylprop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 79261020) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methylprop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methylprop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID79261020
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC NameN'-ethyl-N'-(2-methylprop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESC=C(C)CN(CC)CCNCC(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-4-15(7-9(2)3)6-5-14-8-10(11,12)13/h14H,2,4-8H2,1,3H3
InChIKeyVZPUFEXYYJQPOR-UHFFFAOYSA-N
XLogP2.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-methylprop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(2-methylprop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 79261020) is N'-ethyl-N'-(2-methylprop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methylprop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methylprop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is C=C(C)CN(CC)CCNCC(F)(F)F.
What is the InChIKey of N'-ethyl-N'-(2-methylprop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is VZPUFEXYYJQPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-4-15(7-9(2)3)6-5-14-8-10(11,12)13/h14H,2,4-8H2,1,3H3.
What are the key properties of N'-ethyl-N'-(2-methylprop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-ethyl-N'-(2-methylprop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 224.27 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-methylprop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 79261020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).