(E)-1-N-ethyl-1-fluoro-2-N-methylprop-1-ene-1,2-diamine

C6H13FN2 — CID 146392671

IUPAC(E)-1-N-ethyl-1-fluoro-2-N-methylprop-1-ene-1,2-diamine
SMILESCCN/C(F)=C(/C)NC
InChIInChI=1S/C6H13FN2/c1-4-9-6(7)5(2)8-3/h8-9H,4H2,1-3H3/b6-5-
InChIKeyQFHNWYABBQBZOJ-WAYWQWQTSA-N
MW132.18 g/mol
LogP0.97
Rot. Bonds3

About (E)-1-N-ethyl-1-fluoro-2-N-methylprop-1-ene-1,2-diamine

(E)-1-N-ethyl-1-fluoro-2-N-methylprop-1-ene-1,2-diamine (PubChem CID 146392671) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is (E)-1-N-ethyl-1-fluoro-2-N-methylprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-1-N-ethyl-1-fluoro-2-N-methylprop-1-ene-1,2-diamine
PubChem CID146392671
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name(E)-1-N-ethyl-1-fluoro-2-N-methylprop-1-ene-1,2-diamine
SMILESCCN/C(F)=C(/C)NC
InChIInChI=1S/C6H13FN2/c1-4-9-6(7)5(2)8-3/h8-9H,4H2,1-3H3/b6-5-
InChIKeyQFHNWYABBQBZOJ-WAYWQWQTSA-N
XLogP0.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-fluoro-2-N-methylbut-2-ene-1,2-diamine
CID 139576336
(Z)-1,1,1-trifluoro-3-N-methylbut-2-ene-2,3-diamine
CID 146185975
(E)-2-fluoro-1-N-methylbut-2-ene-1,3-diamine
CID 146384600
(Z)-N-ethyl-3-fluorobut-2-en-2-amine
CID 146517565
(Z)-1-N-ethyl-3,3,3-trifluoro-2-N-methylprop-1-ene-1,2-diamine
CID 154953461
(Z)-1-N-(3-fluoropropyl)prop-1-ene-1,2-diamine
CID 155330138
(Z)-3-fluoro-1-N,1-N,2-N-trimethylprop-1-ene-1,2-diamine
CID 156037531
(Z)-1-N-ethyl-3,3,3-trifluoroprop-1-ene-1,2-diamine
CID 162616522
(Z)-2-N,3-N-dimethylbut-2-ene-2,3-diamine
CID 15827335
(Z)-3-N-methylbut-2-ene-2,3-diamine
CID 58557481
2-N,3-N-dimethylbut-2-ene-2,3-diamine
CID 72660473
3-N-methylbut-2-ene-2,3-diamine
CID 76829070

Frequently Asked Questions

What is the IUPAC name of (E)-1-N-ethyl-1-fluoro-2-N-methylprop-1-ene-1,2-diamine?
The IUPAC name of (E)-1-N-ethyl-1-fluoro-2-N-methylprop-1-ene-1,2-diamine (CID 146392671) is (E)-1-N-ethyl-1-fluoro-2-N-methylprop-1-ene-1,2-diamine.
What is the SMILES notation for (E)-1-N-ethyl-1-fluoro-2-N-methylprop-1-ene-1,2-diamine?
The canonical SMILES for (E)-1-N-ethyl-1-fluoro-2-N-methylprop-1-ene-1,2-diamine is CCN/C(F)=C(/C)NC.
What is the InChIKey of (E)-1-N-ethyl-1-fluoro-2-N-methylprop-1-ene-1,2-diamine?
The InChIKey is QFHNWYABBQBZOJ-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H13FN2/c1-4-9-6(7)5(2)8-3/h8-9H,4H2,1-3H3/b6-5-.
What are the key properties of (E)-1-N-ethyl-1-fluoro-2-N-methylprop-1-ene-1,2-diamine?
(E)-1-N-ethyl-1-fluoro-2-N-methylprop-1-ene-1,2-diamine has a molecular weight of 132.18 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N-ethyl-1-fluoro-2-N-methylprop-1-ene-1,2-diamine is sourced from PubChem (CID 146392671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).