2-fluorobutanal

C4H7FO — CID 12710519

IUPAC2-fluorobutanal
SMILESCCC(F)C=O
InChIInChI=1S/C4H7FO/c1-2-4(5)3-6/h3-4H,2H2,1H3
InChIKeyNJNZFAYODVNZSC-UHFFFAOYSA-N
MW90.10 g/mol
LogP0.93
Rot. Bonds2

About 2-fluorobutanal

2-fluorobutanal (PubChem CID 12710519) has the molecular formula C4H7FO and a molecular weight of 90.10 g/mol. Its IUPAC name is 2-fluorobutanal.

Molecular Properties

Compound Name2-fluorobutanal
PubChem CID12710519
Molecular FormulaC4H7FO
Molecular Weight90.10 g/mol
Exact Mass90.05
IUPAC Name2-fluorobutanal
SMILESCCC(F)C=O
InChIInChI=1S/C4H7FO/c1-2-4(5)3-6/h3-4H,2H2,1H3
InChIKeyNJNZFAYODVNZSC-UHFFFAOYSA-N
XLogP0.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.10
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluorobutanal?
The IUPAC name of 2-fluorobutanal (CID 12710519) is 2-fluorobutanal.
What is the SMILES notation for 2-fluorobutanal?
The canonical SMILES for 2-fluorobutanal is CCC(F)C=O.
What is the InChIKey of 2-fluorobutanal?
The InChIKey is NJNZFAYODVNZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO/c1-2-4(5)3-6/h3-4H,2H2,1H3.
What are the key properties of 2-fluorobutanal?
2-fluorobutanal has a molecular weight of 90.10 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobutanal is sourced from PubChem (CID 12710519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).