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

C7H15F2N3 — CID 57486601

IUPACN'-(aminomethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine
SMILESC=C(C)C(F)(F)N(CN)CCN
InChIInChI=1S/C7H15F2N3/c1-6(2)7(8,9)12(5-11)4-3-10/h1,3-5,10-11H2,2H3
InChIKeyFSFVHSHLPRFTQV-UHFFFAOYSA-N
MW179.21 g/mol
LogP0.33
Rot. Bonds5

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

N'-(aminomethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine (PubChem CID 57486601) has the molecular formula C7H15F2N3 and a molecular weight of 179.21 g/mol. Its IUPAC name is N'-(aminomethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(aminomethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine
PubChem CID57486601
Molecular FormulaC7H15F2N3
Molecular Weight179.21 g/mol
Exact Mass179.12
IUPAC NameN'-(aminomethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine
SMILESC=C(C)C(F)(F)N(CN)CCN
InChIInChI=1S/C7H15F2N3/c1-6(2)7(8,9)12(5-11)4-3-10/h1,3-5,10-11H2,2H3
InChIKeyFSFVHSHLPRFTQV-UHFFFAOYSA-N
XLogP0.33
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 50.33
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 N'-(aminomethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine?
The IUPAC name of N'-(aminomethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine (CID 57486601) is N'-(aminomethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(aminomethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine?
The canonical SMILES for N'-(aminomethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine is C=C(C)C(F)(F)N(CN)CCN.
What is the InChIKey of N'-(aminomethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine?
The InChIKey is FSFVHSHLPRFTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N3/c1-6(2)7(8,9)12(5-11)4-3-10/h1,3-5,10-11H2,2H3.
What are the key properties of N'-(aminomethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine?
N'-(aminomethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine has a molecular weight of 179.21 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(aminomethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine is sourced from PubChem (CID 57486601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).