[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-fluorophenyl)methanone

C13H15ClFNO2 — CID 81211311

IUPAC[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-fluorophenyl)methanone
SMILESCC1COC(CCl)CN1C(=O)c1cccc(F)c1
InChIInChI=1S/C13H15ClFNO2/c1-9-8-18-12(6-14)7-16(9)13(17)10-3-2-4-11(15)5-10/h2-5,9,12H,6-8H2,1H3
InChIKeyLWNFNHNWNBXBJR-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.29
Rot. Bonds2

About [2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-fluorophenyl)methanone

[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-fluorophenyl)methanone (PubChem CID 81211311) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is [2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-fluorophenyl)methanone
PubChem CID81211311
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-fluorophenyl)methanone
SMILESCC1COC(CCl)CN1C(=O)c1cccc(F)c1
InChIInChI=1S/C13H15ClFNO2/c1-9-8-18-12(6-14)7-16(9)13(17)10-3-2-4-11(15)5-10/h2-5,9,12H,6-8H2,1H3
InChIKeyLWNFNHNWNBXBJR-UHFFFAOYSA-N
XLogP2.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-hydroxyphenyl)methanone
CID 81212380
(3-bromo-5-fluorophenyl)-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone
CID 81211638
[3-(chloromethyl)phenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81203352
[2-(chloromethyl)-5-methylmorpholin-4-yl]-pyridin-3-ylmethanone
CID 81211730
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 107672999
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 81211316
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-3-yl)methanone
CID 81212545
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,6-difluoro-3-methylphenyl)methanone
CID 82815850
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2-hydroxyphenyl)methanone
CID 81211637
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone
CID 81213777
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,3,4-trifluorophenyl)methanone
CID 81211640
N'-hydroxy-3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]benzenecarboximidamide
CID 81198524

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-fluorophenyl)methanone (CID 81211311) is [2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-fluorophenyl)methanone is CC1COC(CCl)CN1C(=O)c1cccc(F)c1.
What is the InChIKey of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-fluorophenyl)methanone?
The InChIKey is LWNFNHNWNBXBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c1-9-8-18-12(6-14)7-16(9)13(17)10-3-2-4-11(15)5-10/h2-5,9,12H,6-8H2,1H3.
What are the key properties of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-fluorophenyl)methanone?
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-fluorophenyl)methanone has a molecular weight of 271.72 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 81211311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).