4-(3-fluoropropyl)morpholine-3,5-dione

C7H10FNO3 — CID 130715002

IUPAC4-(3-fluoropropyl)morpholine-3,5-dione
SMILESO=C1COCC(=O)N1CCCF
InChIInChI=1S/C7H10FNO3/c8-2-1-3-9-6(10)4-12-5-7(9)11/h1-5H2
InChIKeyFFMDBCOVHGQMQV-UHFFFAOYSA-N
MW175.16 g/mol
LogP-0.27
Rot. Bonds3

About 4-(3-fluoropropyl)morpholine-3,5-dione

4-(3-fluoropropyl)morpholine-3,5-dione (PubChem CID 130715002) has the molecular formula C7H10FNO3 and a molecular weight of 175.16 g/mol. Its IUPAC name is 4-(3-fluoropropyl)morpholine-3,5-dione.

Molecular Properties

Compound Name4-(3-fluoropropyl)morpholine-3,5-dione
PubChem CID130715002
Molecular FormulaC7H10FNO3
Molecular Weight175.16 g/mol
Exact Mass175.06
IUPAC Name4-(3-fluoropropyl)morpholine-3,5-dione
SMILESO=C1COCC(=O)N1CCCF
InChIInChI=1S/C7H10FNO3/c8-2-1-3-9-6(10)4-12-5-7(9)11/h1-5H2
InChIKeyFFMDBCOVHGQMQV-UHFFFAOYSA-N
XLogP-0.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropropyl)morpholine-3,5-dione?
The IUPAC name of 4-(3-fluoropropyl)morpholine-3,5-dione (CID 130715002) is 4-(3-fluoropropyl)morpholine-3,5-dione.
What is the SMILES notation for 4-(3-fluoropropyl)morpholine-3,5-dione?
The canonical SMILES for 4-(3-fluoropropyl)morpholine-3,5-dione is O=C1COCC(=O)N1CCCF.
What is the InChIKey of 4-(3-fluoropropyl)morpholine-3,5-dione?
The InChIKey is FFMDBCOVHGQMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO3/c8-2-1-3-9-6(10)4-12-5-7(9)11/h1-5H2.
What are the key properties of 4-(3-fluoropropyl)morpholine-3,5-dione?
4-(3-fluoropropyl)morpholine-3,5-dione has a molecular weight of 175.16 g/mol, XLogP of -0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropyl)morpholine-3,5-dione is sourced from PubChem (CID 130715002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).