3-(3-fluoromorpholin-4-yl)benzoyl chloride

C11H11ClFNO2 — CID 174538559

IUPAC3-(3-fluoromorpholin-4-yl)benzoyl chloride
SMILESO=C(Cl)c1cccc(N2CCOCC2F)c1
InChIInChI=1S/C11H11ClFNO2/c12-11(15)8-2-1-3-9(6-8)14-4-5-16-7-10(14)13/h1-3,6,10H,4-5,7H2
InChIKeyMMYKAQKNUWZTAB-UHFFFAOYSA-N
MW243.66 g/mol
LogP2.20
Rot. Bonds2

About 3-(3-fluoromorpholin-4-yl)benzoyl chloride

3-(3-fluoromorpholin-4-yl)benzoyl chloride (PubChem CID 174538559) has the molecular formula C11H11ClFNO2 and a molecular weight of 243.66 g/mol. Its IUPAC name is 3-(3-fluoromorpholin-4-yl)benzoyl chloride.

Molecular Properties

Compound Name3-(3-fluoromorpholin-4-yl)benzoyl chloride
PubChem CID174538559
Molecular FormulaC11H11ClFNO2
Molecular Weight243.66 g/mol
Exact Mass243.05
IUPAC Name3-(3-fluoromorpholin-4-yl)benzoyl chloride
SMILESO=C(Cl)c1cccc(N2CCOCC2F)c1
InChIInChI=1S/C11H11ClFNO2/c12-11(15)8-2-1-3-9(6-8)14-4-5-16-7-10(14)13/h1-3,6,10H,4-5,7H2
InChIKeyMMYKAQKNUWZTAB-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.66
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoromorpholin-4-yl)benzoyl chloride?
The IUPAC name of 3-(3-fluoromorpholin-4-yl)benzoyl chloride (CID 174538559) is 3-(3-fluoromorpholin-4-yl)benzoyl chloride.
What is the SMILES notation for 3-(3-fluoromorpholin-4-yl)benzoyl chloride?
The canonical SMILES for 3-(3-fluoromorpholin-4-yl)benzoyl chloride is O=C(Cl)c1cccc(N2CCOCC2F)c1.
What is the InChIKey of 3-(3-fluoromorpholin-4-yl)benzoyl chloride?
The InChIKey is MMYKAQKNUWZTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO2/c12-11(15)8-2-1-3-9(6-8)14-4-5-16-7-10(14)13/h1-3,6,10H,4-5,7H2.
What are the key properties of 3-(3-fluoromorpholin-4-yl)benzoyl chloride?
3-(3-fluoromorpholin-4-yl)benzoyl chloride has a molecular weight of 243.66 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoromorpholin-4-yl)benzoyl chloride is sourced from PubChem (CID 174538559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).