(E)-1-fluoro-N-methyl-N-prop-1-en-2-ylprop-1-en-1-amine

C7H12FN — CID 146392901

IUPAC(E)-1-fluoro-N-methyl-N-prop-1-en-2-ylprop-1-en-1-amine
SMILESC=C(C)N(C)/C(F)=C\C
InChIInChI=1S/C7H12FN/c1-5-7(8)9(4)6(2)3/h5H,2H2,1,3-4H3/b7-5-
InChIKeyQEPHJESUKRUACK-ALCCZGGFSA-N
MW129.18 g/mol
LogP2.28
Rot. Bonds2

About (E)-1-fluoro-N-methyl-N-prop-1-en-2-ylprop-1-en-1-amine

(E)-1-fluoro-N-methyl-N-prop-1-en-2-ylprop-1-en-1-amine (PubChem CID 146392901) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (E)-1-fluoro-N-methyl-N-prop-1-en-2-ylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-1-fluoro-N-methyl-N-prop-1-en-2-ylprop-1-en-1-amine
PubChem CID146392901
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(E)-1-fluoro-N-methyl-N-prop-1-en-2-ylprop-1-en-1-amine
SMILESC=C(C)N(C)/C(F)=C\C
InChIInChI=1S/C7H12FN/c1-5-7(8)9(4)6(2)3/h5H,2H2,1,3-4H3/b7-5-
InChIKeyQEPHJESUKRUACK-ALCCZGGFSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-fluoro-N-methyl-N-prop-1-en-2-ylprop-1-en-1-amine?
The IUPAC name of (E)-1-fluoro-N-methyl-N-prop-1-en-2-ylprop-1-en-1-amine (CID 146392901) is (E)-1-fluoro-N-methyl-N-prop-1-en-2-ylprop-1-en-1-amine.
What is the SMILES notation for (E)-1-fluoro-N-methyl-N-prop-1-en-2-ylprop-1-en-1-amine?
The canonical SMILES for (E)-1-fluoro-N-methyl-N-prop-1-en-2-ylprop-1-en-1-amine is C=C(C)N(C)/C(F)=C\C.
What is the InChIKey of (E)-1-fluoro-N-methyl-N-prop-1-en-2-ylprop-1-en-1-amine?
The InChIKey is QEPHJESUKRUACK-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H12FN/c1-5-7(8)9(4)6(2)3/h5H,2H2,1,3-4H3/b7-5-.
What are the key properties of (E)-1-fluoro-N-methyl-N-prop-1-en-2-ylprop-1-en-1-amine?
(E)-1-fluoro-N-methyl-N-prop-1-en-2-ylprop-1-en-1-amine has a molecular weight of 129.18 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-fluoro-N-methyl-N-prop-1-en-2-ylprop-1-en-1-amine is sourced from PubChem (CID 146392901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).