N-ethyl-N'-(2-fluoroethyl)ethane-1,2-diamine

C6H15FN2 — CID 126976232

IUPACN-ethyl-N'-(2-fluoroethyl)ethane-1,2-diamine
SMILESCCNCCNCCF
InChIInChI=1S/C6H15FN2/c1-2-8-5-6-9-4-3-7/h8-9H,2-6H2,1H3
InChIKeyZBJPFRQOEOEFEN-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.16
Rot. Bonds6

About N-ethyl-N'-(2-fluoroethyl)ethane-1,2-diamine

N-ethyl-N'-(2-fluoroethyl)ethane-1,2-diamine (PubChem CID 126976232) has the molecular formula C6H15FN2 and a molecular weight of 134.20 g/mol. Its IUPAC name is N-ethyl-N'-(2-fluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-(2-fluoroethyl)ethane-1,2-diamine
PubChem CID126976232
Molecular FormulaC6H15FN2
Molecular Weight134.20 g/mol
Exact Mass134.12
IUPAC NameN-ethyl-N'-(2-fluoroethyl)ethane-1,2-diamine
SMILESCCNCCNCCF
InChIInChI=1S/C6H15FN2/c1-2-8-5-6-9-4-3-7/h8-9H,2-6H2,1H3
InChIKeyZBJPFRQOEOEFEN-UHFFFAOYSA-N
XLogP0.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(2-fluoroethyl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-(2-fluoroethyl)ethane-1,2-diamine (CID 126976232) is N-ethyl-N'-(2-fluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-(2-fluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-(2-fluoroethyl)ethane-1,2-diamine is CCNCCNCCF.
What is the InChIKey of N-ethyl-N'-(2-fluoroethyl)ethane-1,2-diamine?
The InChIKey is ZBJPFRQOEOEFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15FN2/c1-2-8-5-6-9-4-3-7/h8-9H,2-6H2,1H3.
What are the key properties of N-ethyl-N'-(2-fluoroethyl)ethane-1,2-diamine?
N-ethyl-N'-(2-fluoroethyl)ethane-1,2-diamine has a molecular weight of 134.20 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(2-fluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 126976232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).