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

C6H12FNO — CID 19858177

IUPAC(E)-2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine
SMILESCCOC/C(=C/F)CN
InChIInChI=1S/C6H12FNO/c1-2-9-5-6(3-7)4-8/h3H,2,4-5,8H2,1H3/b6-3+
InChIKeyYOMQIIPRNMBMSO-ZZXKWVIFSA-N
MW133.17 g/mol
LogP0.83
Rot. Bonds4

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

(E)-2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine (PubChem CID 19858177) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is (E)-2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine
PubChem CID19858177
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name(E)-2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine
SMILESCCOC/C(=C/F)CN
InChIInChI=1S/C6H12FNO/c1-2-9-5-6(3-7)4-8/h3H,2,4-5,8H2,1H3/b6-3+
InChIKeyYOMQIIPRNMBMSO-ZZXKWVIFSA-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 (E)-2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine?
The IUPAC name of (E)-2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine (CID 19858177) is (E)-2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine.
What is the SMILES notation for (E)-2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine?
The canonical SMILES for (E)-2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine is CCOC/C(=C/F)CN.
What is the InChIKey of (E)-2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine?
The InChIKey is YOMQIIPRNMBMSO-ZZXKWVIFSA-N. The full InChI is InChI=1S/C6H12FNO/c1-2-9-5-6(3-7)4-8/h3H,2,4-5,8H2,1H3/b6-3+.
What are the key properties of (E)-2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine?
(E)-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 (E)-2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine is sourced from PubChem (CID 19858177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).