N'-ethyl-N'-fluoro-N-methylethane-1,2-diamine

C5H13FN2 — CID 143371162

IUPACN'-ethyl-N'-fluoro-N-methylethane-1,2-diamine
SMILESCCN(F)CCNC
InChIInChI=1S/C5H13FN2/c1-3-8(6)5-4-7-2/h7H,3-5H2,1-2H3
InChIKeyKSNHUHMJTIOYLT-UHFFFAOYSA-N
MW120.17 g/mol
LogP0.41
Rot. Bonds4

About N'-ethyl-N'-fluoro-N-methylethane-1,2-diamine

N'-ethyl-N'-fluoro-N-methylethane-1,2-diamine (PubChem CID 143371162) has the molecular formula C5H13FN2 and a molecular weight of 120.17 g/mol. Its IUPAC name is N'-ethyl-N'-fluoro-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-fluoro-N-methylethane-1,2-diamine
PubChem CID143371162
Molecular FormulaC5H13FN2
Molecular Weight120.17 g/mol
Exact Mass120.11
IUPAC NameN'-ethyl-N'-fluoro-N-methylethane-1,2-diamine
SMILESCCN(F)CCNC
InChIInChI=1S/C5H13FN2/c1-3-8(6)5-4-7-2/h7H,3-5H2,1-2H3
InChIKeyKSNHUHMJTIOYLT-UHFFFAOYSA-N
XLogP0.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-fluoro-N-methylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-fluoro-N-methylethane-1,2-diamine (CID 143371162) is N'-ethyl-N'-fluoro-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-fluoro-N-methylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-fluoro-N-methylethane-1,2-diamine is CCN(F)CCNC.
What is the InChIKey of N'-ethyl-N'-fluoro-N-methylethane-1,2-diamine?
The InChIKey is KSNHUHMJTIOYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13FN2/c1-3-8(6)5-4-7-2/h7H,3-5H2,1-2H3.
What are the key properties of N'-ethyl-N'-fluoro-N-methylethane-1,2-diamine?
N'-ethyl-N'-fluoro-N-methylethane-1,2-diamine has a molecular weight of 120.17 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-fluoro-N-methylethane-1,2-diamine is sourced from PubChem (CID 143371162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).