(4-fluoro-1-oxobutan-2-yl)urea

C5H9FN2O2 — CID 174505510

IUPAC(4-fluoro-1-oxobutan-2-yl)urea
SMILESNC(=O)NC(C=O)CCF
InChIInChI=1S/C5H9FN2O2/c6-2-1-4(3-9)8-5(7)10/h3-4H,1-2H2,(H3,7,8,10)
InChIKeyKYOODDMDAHAZDH-UHFFFAOYSA-N
MW148.14 g/mol
LogP-0.42
Rot. Bonds4

About (4-fluoro-1-oxobutan-2-yl)urea

(4-fluoro-1-oxobutan-2-yl)urea (PubChem CID 174505510) has the molecular formula C5H9FN2O2 and a molecular weight of 148.14 g/mol. Its IUPAC name is (4-fluoro-1-oxobutan-2-yl)urea.

Molecular Properties

Compound Name(4-fluoro-1-oxobutan-2-yl)urea
PubChem CID174505510
Molecular FormulaC5H9FN2O2
Molecular Weight148.14 g/mol
Exact Mass148.06
IUPAC Name(4-fluoro-1-oxobutan-2-yl)urea
SMILESNC(=O)NC(C=O)CCF
InChIInChI=1S/C5H9FN2O2/c6-2-1-4(3-9)8-5(7)10/h3-4H,1-2H2,(H3,7,8,10)
InChIKeyKYOODDMDAHAZDH-UHFFFAOYSA-N
XLogP-0.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
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-fluoro-1-oxobutan-2-yl)urea?
The IUPAC name of (4-fluoro-1-oxobutan-2-yl)urea (CID 174505510) is (4-fluoro-1-oxobutan-2-yl)urea.
What is the SMILES notation for (4-fluoro-1-oxobutan-2-yl)urea?
The canonical SMILES for (4-fluoro-1-oxobutan-2-yl)urea is NC(=O)NC(C=O)CCF.
What is the InChIKey of (4-fluoro-1-oxobutan-2-yl)urea?
The InChIKey is KYOODDMDAHAZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2O2/c6-2-1-4(3-9)8-5(7)10/h3-4H,1-2H2,(H3,7,8,10).
What are the key properties of (4-fluoro-1-oxobutan-2-yl)urea?
(4-fluoro-1-oxobutan-2-yl)urea has a molecular weight of 148.14 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1-oxobutan-2-yl)urea is sourced from PubChem (CID 174505510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).