2-fluoro-N-(2-methoxyethyl)prop-2-en-1-amine

C6H12FNO — CID 55300286

IUPAC2-fluoro-N-(2-methoxyethyl)prop-2-en-1-amine
SMILESC=C(F)CNCCOC
InChIInChI=1S/C6H12FNO/c1-6(7)5-8-3-4-9-2/h8H,1,3-5H2,2H3
InChIKeyRRLQDTXPFVETOO-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.71
Rot. Bonds5

About 2-fluoro-N-(2-methoxyethyl)prop-2-en-1-amine

2-fluoro-N-(2-methoxyethyl)prop-2-en-1-amine (PubChem CID 55300286) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxyethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxyethyl)prop-2-en-1-amine
PubChem CID55300286
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name2-fluoro-N-(2-methoxyethyl)prop-2-en-1-amine
SMILESC=C(F)CNCCOC
InChIInChI=1S/C6H12FNO/c1-6(7)5-8-3-4-9-2/h8H,1,3-5H2,2H3
InChIKeyRRLQDTXPFVETOO-UHFFFAOYSA-N
XLogP0.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxyethyl)prop-2-en-1-amine?
The IUPAC name of 2-fluoro-N-(2-methoxyethyl)prop-2-en-1-amine (CID 55300286) is 2-fluoro-N-(2-methoxyethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-fluoro-N-(2-methoxyethyl)prop-2-en-1-amine?
The canonical SMILES for 2-fluoro-N-(2-methoxyethyl)prop-2-en-1-amine is C=C(F)CNCCOC.
What is the InChIKey of 2-fluoro-N-(2-methoxyethyl)prop-2-en-1-amine?
The InChIKey is RRLQDTXPFVETOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-6(7)5-8-3-4-9-2/h8H,1,3-5H2,2H3.
What are the key properties of 2-fluoro-N-(2-methoxyethyl)prop-2-en-1-amine?
2-fluoro-N-(2-methoxyethyl)prop-2-en-1-amine has a molecular weight of 133.17 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methoxyethyl)prop-2-en-1-amine is sourced from PubChem (CID 55300286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).