(Z)-3-[1-(2-fluoroethylamino)ethenylimino]-2-methylprop-1-en-1-amine

C8H14FN3 — CID 173383044

IUPAC(Z)-3-[1-(2-fluoroethylamino)ethenylimino]-2-methylprop-1-en-1-amine
SMILESC=C(N=C/C(C)=C\N)NCCF
InChIInChI=1S/C8H14FN3/c1-7(5-10)6-12-8(2)11-4-3-9/h5-6,11H,2-4,10H2,1H3/b7-5-,12-6?
InChIKeyQBOSSJAKMOFLGN-RBNVBLCOSA-N
MW171.22 g/mol
LogP0.95
Rot. Bonds5

About (Z)-3-[1-(2-fluoroethylamino)ethenylimino]-2-methylprop-1-en-1-amine

(Z)-3-[1-(2-fluoroethylamino)ethenylimino]-2-methylprop-1-en-1-amine (PubChem CID 173383044) has the molecular formula C8H14FN3 and a molecular weight of 171.22 g/mol. Its IUPAC name is (Z)-3-[1-(2-fluoroethylamino)ethenylimino]-2-methylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-[1-(2-fluoroethylamino)ethenylimino]-2-methylprop-1-en-1-amine
PubChem CID173383044
Molecular FormulaC8H14FN3
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC Name(Z)-3-[1-(2-fluoroethylamino)ethenylimino]-2-methylprop-1-en-1-amine
SMILESC=C(N=C/C(C)=C\N)NCCF
InChIInChI=1S/C8H14FN3/c1-7(5-10)6-12-8(2)11-4-3-9/h5-6,11H,2-4,10H2,1H3/b7-5-,12-6?
InChIKeyQBOSSJAKMOFLGN-RBNVBLCOSA-N
XLogP0.95
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[1-(2-fluoroethylamino)ethenylimino]-2-methylprop-1-en-1-amine?
The IUPAC name of (Z)-3-[1-(2-fluoroethylamino)ethenylimino]-2-methylprop-1-en-1-amine (CID 173383044) is (Z)-3-[1-(2-fluoroethylamino)ethenylimino]-2-methylprop-1-en-1-amine.
What is the SMILES notation for (Z)-3-[1-(2-fluoroethylamino)ethenylimino]-2-methylprop-1-en-1-amine?
The canonical SMILES for (Z)-3-[1-(2-fluoroethylamino)ethenylimino]-2-methylprop-1-en-1-amine is C=C(N=C/C(C)=C\N)NCCF.
What is the InChIKey of (Z)-3-[1-(2-fluoroethylamino)ethenylimino]-2-methylprop-1-en-1-amine?
The InChIKey is QBOSSJAKMOFLGN-RBNVBLCOSA-N. The full InChI is InChI=1S/C8H14FN3/c1-7(5-10)6-12-8(2)11-4-3-9/h5-6,11H,2-4,10H2,1H3/b7-5-,12-6?.
What are the key properties of (Z)-3-[1-(2-fluoroethylamino)ethenylimino]-2-methylprop-1-en-1-amine?
(Z)-3-[1-(2-fluoroethylamino)ethenylimino]-2-methylprop-1-en-1-amine has a molecular weight of 171.22 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[1-(2-fluoroethylamino)ethenylimino]-2-methylprop-1-en-1-amine is sourced from PubChem (CID 173383044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).