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

C8H17F2N3 — CID 57486597

IUPACN'-(2-aminoethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine
SMILESC=C(C)C(F)(F)N(CCN)CCN
InChIInChI=1S/C8H17F2N3/c1-7(2)8(9,10)13(5-3-11)6-4-12/h1,3-6,11-12H2,2H3
InChIKeyVXIBTAUUVMDEIM-UHFFFAOYSA-N
MW193.24 g/mol
LogP0.37
Rot. Bonds6

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

N'-(2-aminoethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine (PubChem CID 57486597) has the molecular formula C8H17F2N3 and a molecular weight of 193.24 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine
PubChem CID57486597
Molecular FormulaC8H17F2N3
Molecular Weight193.24 g/mol
Exact Mass193.14
IUPAC NameN'-(2-aminoethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine
SMILESC=C(C)C(F)(F)N(CCN)CCN
InChIInChI=1S/C8H17F2N3/c1-7(2)8(9,10)13(5-3-11)6-4-12/h1,3-6,11-12H2,2H3
InChIKeyVXIBTAUUVMDEIM-UHFFFAOYSA-N
XLogP0.37
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 N'-(2-aminoethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine (CID 57486597) is N'-(2-aminoethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine is C=C(C)C(F)(F)N(CCN)CCN.
What is the InChIKey of N'-(2-aminoethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine?
The InChIKey is VXIBTAUUVMDEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N3/c1-7(2)8(9,10)13(5-3-11)6-4-12/h1,3-6,11-12H2,2H3.
What are the key properties of N'-(2-aminoethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine?
N'-(2-aminoethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine has a molecular weight of 193.24 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine is sourced from PubChem (CID 57486597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).