(Z)-3-(diethylamino)-2-fluoroprop-2-enal

C7H12FNO — CID 11126398

IUPAC(Z)-3-(diethylamino)-2-fluoroprop-2-enal
SMILESCCN(/C=C(\F)C=O)CC
InChIInChI=1S/C7H12FNO/c1-3-9(4-2)5-7(8)6-10/h5-6H,3-4H2,1-2H3/b7-5-
InChIKeyDBQGWMLUZOCKAE-ALCCZGGFSA-N
MW145.18 g/mol
LogP1.34
Rot. Bonds4

About (Z)-3-(diethylamino)-2-fluoroprop-2-enal

(Z)-3-(diethylamino)-2-fluoroprop-2-enal (PubChem CID 11126398) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is (Z)-3-(diethylamino)-2-fluoroprop-2-enal.

Molecular Properties

Compound Name(Z)-3-(diethylamino)-2-fluoroprop-2-enal
PubChem CID11126398
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name(Z)-3-(diethylamino)-2-fluoroprop-2-enal
SMILESCCN(/C=C(\F)C=O)CC
InChIInChI=1S/C7H12FNO/c1-3-9(4-2)5-7(8)6-10/h5-6H,3-4H2,1-2H3/b7-5-
InChIKeyDBQGWMLUZOCKAE-ALCCZGGFSA-N
XLogP1.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(diethylamino)-2-fluoroprop-2-enal?
The IUPAC name of (Z)-3-(diethylamino)-2-fluoroprop-2-enal (CID 11126398) is (Z)-3-(diethylamino)-2-fluoroprop-2-enal.
What is the SMILES notation for (Z)-3-(diethylamino)-2-fluoroprop-2-enal?
The canonical SMILES for (Z)-3-(diethylamino)-2-fluoroprop-2-enal is CCN(/C=C(\F)C=O)CC.
What is the InChIKey of (Z)-3-(diethylamino)-2-fluoroprop-2-enal?
The InChIKey is DBQGWMLUZOCKAE-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H12FNO/c1-3-9(4-2)5-7(8)6-10/h5-6H,3-4H2,1-2H3/b7-5-.
What are the key properties of (Z)-3-(diethylamino)-2-fluoroprop-2-enal?
(Z)-3-(diethylamino)-2-fluoroprop-2-enal has a molecular weight of 145.18 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(diethylamino)-2-fluoroprop-2-enal is sourced from PubChem (CID 11126398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).