1-N'-(1-aminoethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine

C8H17F2N3 — CID 87229745

IUPAC1-N'-(1-aminoethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine
SMILESC=C(C)C(F)(F)N(C(C)N)C(C)N
InChIInChI=1S/C8H17F2N3/c1-5(2)8(9,10)13(6(3)11)7(4)12/h6-7H,1,11-12H2,2-4H3
InChIKeyYAUXEIXWJIGDSC-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.07
Rot. Bonds4

About 1-N'-(1-aminoethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine

1-N'-(1-aminoethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine (PubChem CID 87229745) has the molecular formula C8H17F2N3 and a molecular weight of 193.24 g/mol. Its IUPAC name is 1-N'-(1-aminoethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(1-aminoethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine
PubChem CID87229745
Molecular FormulaC8H17F2N3
Molecular Weight193.24 g/mol
Exact Mass193.14
IUPAC Name1-N'-(1-aminoethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine
SMILESC=C(C)C(F)(F)N(C(C)N)C(C)N
InChIInChI=1S/C8H17F2N3/c1-5(2)8(9,10)13(6(3)11)7(4)12/h6-7H,1,11-12H2,2-4H3
InChIKeyYAUXEIXWJIGDSC-UHFFFAOYSA-N
XLogP1.07
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N'-(1-aminoethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine?
The IUPAC name of 1-N'-(1-aminoethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine (CID 87229745) is 1-N'-(1-aminoethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine.
What is the SMILES notation for 1-N'-(1-aminoethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine?
The canonical SMILES for 1-N'-(1-aminoethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine is C=C(C)C(F)(F)N(C(C)N)C(C)N.
What is the InChIKey of 1-N'-(1-aminoethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine?
The InChIKey is YAUXEIXWJIGDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N3/c1-5(2)8(9,10)13(6(3)11)7(4)12/h6-7H,1,11-12H2,2-4H3.
What are the key properties of 1-N'-(1-aminoethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine?
1-N'-(1-aminoethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine has a molecular weight of 193.24 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(1-aminoethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine is sourced from PubChem (CID 87229745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).