N'-methyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C8H15F3N2 — CID 62560286

IUPACN'-methyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESC=CCNCCN(C)CC(F)(F)F
InChIInChI=1S/C8H15F3N2/c1-3-4-12-5-6-13(2)7-8(9,10)11/h3,12H,1,4-7H2,2H3
InChIKeyVCQUKWLQOLDHQP-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.26
Rot. Bonds6

About N'-methyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-methyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 62560286) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is N'-methyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID62560286
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC NameN'-methyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESC=CCNCCN(C)CC(F)(F)F
InChIInChI=1S/C8H15F3N2/c1-3-4-12-5-6-13(2)7-8(9,10)11/h3,12H,1,4-7H2,2H3
InChIKeyVCQUKWLQOLDHQP-UHFFFAOYSA-N
XLogP1.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.26
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'-methyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 62560286) is N'-methyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is C=CCNCCN(C)CC(F)(F)F.
What is the InChIKey of N'-methyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is VCQUKWLQOLDHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-3-4-12-5-6-13(2)7-8(9,10)11/h3,12H,1,4-7H2,2H3.
What are the key properties of N'-methyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-methyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 196.22 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 62560286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).