(E)-3-fluoro-2-(prop-1-en-2-yloxymethyl)prop-2-en-1-amine

C7H12FNO — CID 146492755

IUPAC(E)-3-fluoro-2-(prop-1-en-2-yloxymethyl)prop-2-en-1-amine
SMILESC=C(C)OC/C(=C/F)CN
InChIInChI=1S/C7H12FNO/c1-6(2)10-5-7(3-8)4-9/h3H,1,4-5,9H2,2H3/b7-3+
InChIKeyJBPHSZJOZAUXSL-XVNBXDOJSA-N
MW145.18 g/mol
LogP1.35
Rot. Bonds4

About (E)-3-fluoro-2-(prop-1-en-2-yloxymethyl)prop-2-en-1-amine

(E)-3-fluoro-2-(prop-1-en-2-yloxymethyl)prop-2-en-1-amine (PubChem CID 146492755) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is (E)-3-fluoro-2-(prop-1-en-2-yloxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-2-(prop-1-en-2-yloxymethyl)prop-2-en-1-amine
PubChem CID146492755
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name(E)-3-fluoro-2-(prop-1-en-2-yloxymethyl)prop-2-en-1-amine
SMILESC=C(C)OC/C(=C/F)CN
InChIInChI=1S/C7H12FNO/c1-6(2)10-5-7(3-8)4-9/h3H,1,4-5,9H2,2H3/b7-3+
InChIKeyJBPHSZJOZAUXSL-XVNBXDOJSA-N
XLogP1.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-(prop-1-en-2-yloxymethyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-2-(prop-1-en-2-yloxymethyl)prop-2-en-1-amine (CID 146492755) is (E)-3-fluoro-2-(prop-1-en-2-yloxymethyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-2-(prop-1-en-2-yloxymethyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-2-(prop-1-en-2-yloxymethyl)prop-2-en-1-amine is C=C(C)OC/C(=C/F)CN.
What is the InChIKey of (E)-3-fluoro-2-(prop-1-en-2-yloxymethyl)prop-2-en-1-amine?
The InChIKey is JBPHSZJOZAUXSL-XVNBXDOJSA-N. The full InChI is InChI=1S/C7H12FNO/c1-6(2)10-5-7(3-8)4-9/h3H,1,4-5,9H2,2H3/b7-3+.
What are the key properties of (E)-3-fluoro-2-(prop-1-en-2-yloxymethyl)prop-2-en-1-amine?
(E)-3-fluoro-2-(prop-1-en-2-yloxymethyl)prop-2-en-1-amine has a molecular weight of 145.18 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-(prop-1-en-2-yloxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 146492755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).