4-(dimethylamino)-2-fluorobutanal

C6H12FNO — CID 55266893

IUPAC4-(dimethylamino)-2-fluorobutanal
SMILESCN(C)CCC(F)C=O
InChIInChI=1S/C6H12FNO/c1-8(2)4-3-6(7)5-9/h5-6H,3-4H2,1-2H3
InChIKeyJTDMFBGZIVDTFL-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.48
Rot. Bonds4

About 4-(dimethylamino)-2-fluorobutanal

4-(dimethylamino)-2-fluorobutanal (PubChem CID 55266893) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 4-(dimethylamino)-2-fluorobutanal.

Molecular Properties

Compound Name4-(dimethylamino)-2-fluorobutanal
PubChem CID55266893
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name4-(dimethylamino)-2-fluorobutanal
SMILESCN(C)CCC(F)C=O
InChIInChI=1S/C6H12FNO/c1-8(2)4-3-6(7)5-9/h5-6H,3-4H2,1-2H3
InChIKeyJTDMFBGZIVDTFL-UHFFFAOYSA-N
XLogP0.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-fluorobutanal?
The IUPAC name of 4-(dimethylamino)-2-fluorobutanal (CID 55266893) is 4-(dimethylamino)-2-fluorobutanal.
What is the SMILES notation for 4-(dimethylamino)-2-fluorobutanal?
The canonical SMILES for 4-(dimethylamino)-2-fluorobutanal is CN(C)CCC(F)C=O.
What is the InChIKey of 4-(dimethylamino)-2-fluorobutanal?
The InChIKey is JTDMFBGZIVDTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-8(2)4-3-6(7)5-9/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-(dimethylamino)-2-fluorobutanal?
4-(dimethylamino)-2-fluorobutanal has a molecular weight of 133.17 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-fluorobutanal is sourced from PubChem (CID 55266893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).