3-(dimethylamino)-2-fluoroprop-2-enal

C5H8FNO — CID 54236093

IUPAC3-(dimethylamino)-2-fluoroprop-2-enal
SMILESCN(C)C=C(F)C=O
InChIInChI=1S/C5H8FNO/c1-7(2)3-5(6)4-8/h3-4H,1-2H3
InChIKeyQMQZXWWFXNWPMP-UHFFFAOYSA-N
MW117.12 g/mol
LogP0.56
Rot. Bonds2

About 3-(dimethylamino)-2-fluoroprop-2-enal

3-(dimethylamino)-2-fluoroprop-2-enal (PubChem CID 54236093) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is 3-(dimethylamino)-2-fluoroprop-2-enal.

Molecular Properties

Compound Name3-(dimethylamino)-2-fluoroprop-2-enal
PubChem CID54236093
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name3-(dimethylamino)-2-fluoroprop-2-enal
SMILESCN(C)C=C(F)C=O
InChIInChI=1S/C5H8FNO/c1-7(2)3-5(6)4-8/h3-4H,1-2H3
InChIKeyQMQZXWWFXNWPMP-UHFFFAOYSA-N
XLogP0.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 50.56
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 3-(dimethylamino)-2-fluoroprop-2-enal?
The IUPAC name of 3-(dimethylamino)-2-fluoroprop-2-enal (CID 54236093) is 3-(dimethylamino)-2-fluoroprop-2-enal.
What is the SMILES notation for 3-(dimethylamino)-2-fluoroprop-2-enal?
The canonical SMILES for 3-(dimethylamino)-2-fluoroprop-2-enal is CN(C)C=C(F)C=O.
What is the InChIKey of 3-(dimethylamino)-2-fluoroprop-2-enal?
The InChIKey is QMQZXWWFXNWPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO/c1-7(2)3-5(6)4-8/h3-4H,1-2H3.
What are the key properties of 3-(dimethylamino)-2-fluoroprop-2-enal?
3-(dimethylamino)-2-fluoroprop-2-enal has a molecular weight of 117.12 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-fluoroprop-2-enal is sourced from PubChem (CID 54236093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).