5-fluoro-4-(methylamino)pentanal

C6H12FNO — CID 146366173

IUPAC5-fluoro-4-(methylamino)pentanal
SMILESCNC(CF)CCC=O
InChIInChI=1S/C6H12FNO/c1-8-6(5-7)3-2-4-9/h4,6,8H,2-3,5H2,1H3
InChIKeyPGBYIRUBAMKXMG-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.52
Rot. Bonds5

About 5-fluoro-4-(methylamino)pentanal

5-fluoro-4-(methylamino)pentanal (PubChem CID 146366173) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 5-fluoro-4-(methylamino)pentanal.

Molecular Properties

Compound Name5-fluoro-4-(methylamino)pentanal
PubChem CID146366173
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name5-fluoro-4-(methylamino)pentanal
SMILESCNC(CF)CCC=O
InChIInChI=1S/C6H12FNO/c1-8-6(5-7)3-2-4-9/h4,6,8H,2-3,5H2,1H3
InChIKeyPGBYIRUBAMKXMG-UHFFFAOYSA-N
XLogP0.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.52
H-Bond Donors ≤ 51
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 5-fluoro-4-(methylamino)pentanal?
The IUPAC name of 5-fluoro-4-(methylamino)pentanal (CID 146366173) is 5-fluoro-4-(methylamino)pentanal.
What is the SMILES notation for 5-fluoro-4-(methylamino)pentanal?
The canonical SMILES for 5-fluoro-4-(methylamino)pentanal is CNC(CF)CCC=O.
What is the InChIKey of 5-fluoro-4-(methylamino)pentanal?
The InChIKey is PGBYIRUBAMKXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-8-6(5-7)3-2-4-9/h4,6,8H,2-3,5H2,1H3.
What are the key properties of 5-fluoro-4-(methylamino)pentanal?
5-fluoro-4-(methylamino)pentanal has a molecular weight of 133.17 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(methylamino)pentanal is sourced from PubChem (CID 146366173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).