5-ethoxy-1-fluoropent-3-en-2-amine

C7H14FNO — CID 54052969

IUPAC5-ethoxy-1-fluoropent-3-en-2-amine
SMILESCCOCC=CC(N)CF
InChIInChI=1S/C7H14FNO/c1-2-10-5-3-4-7(9)6-8/h3-4,7H,2,5-6,9H2,1H3
InChIKeyLUFTZPGKDNAWKI-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.88
Rot. Bonds5

About 5-ethoxy-1-fluoropent-3-en-2-amine

5-ethoxy-1-fluoropent-3-en-2-amine (PubChem CID 54052969) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 5-ethoxy-1-fluoropent-3-en-2-amine.

Molecular Properties

Compound Name5-ethoxy-1-fluoropent-3-en-2-amine
PubChem CID54052969
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name5-ethoxy-1-fluoropent-3-en-2-amine
SMILESCCOCC=CC(N)CF
InChIInChI=1S/C7H14FNO/c1-2-10-5-3-4-7(9)6-8/h3-4,7H,2,5-6,9H2,1H3
InChIKeyLUFTZPGKDNAWKI-UHFFFAOYSA-N
XLogP0.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-fluoropent-3-en-2-amine?
The IUPAC name of 5-ethoxy-1-fluoropent-3-en-2-amine (CID 54052969) is 5-ethoxy-1-fluoropent-3-en-2-amine.
What is the SMILES notation for 5-ethoxy-1-fluoropent-3-en-2-amine?
The canonical SMILES for 5-ethoxy-1-fluoropent-3-en-2-amine is CCOCC=CC(N)CF.
What is the InChIKey of 5-ethoxy-1-fluoropent-3-en-2-amine?
The InChIKey is LUFTZPGKDNAWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-2-10-5-3-4-7(9)6-8/h3-4,7H,2,5-6,9H2,1H3.
What are the key properties of 5-ethoxy-1-fluoropent-3-en-2-amine?
5-ethoxy-1-fluoropent-3-en-2-amine has a molecular weight of 147.19 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-fluoropent-3-en-2-amine is sourced from PubChem (CID 54052969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).