2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine

C6H12FNO — CID 54519097

IUPAC2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine
SMILESCCOCC(=CF)CN
InChIInChI=1S/C6H12FNO/c1-2-9-5-6(3-7)4-8/h3H,2,4-5,8H2,1H3
InChIKeyYOMQIIPRNMBMSO-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.83
Rot. Bonds4

About 2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine

2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine (PubChem CID 54519097) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine
PubChem CID54519097
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine
SMILESCCOCC(=CF)CN
InChIInChI=1S/C6H12FNO/c1-2-9-5-6(3-7)4-8/h3H,2,4-5,8H2,1H3
InChIKeyYOMQIIPRNMBMSO-UHFFFAOYSA-N
XLogP0.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine?
The IUPAC name of 2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine (CID 54519097) is 2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine.
What is the SMILES notation for 2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine?
The canonical SMILES for 2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine is CCOCC(=CF)CN.
What is the InChIKey of 2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine?
The InChIKey is YOMQIIPRNMBMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-2-9-5-6(3-7)4-8/h3H,2,4-5,8H2,1H3.
What are the key properties of 2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine?
2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine has a molecular weight of 133.17 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine is sourced from PubChem (CID 54519097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).