[2-(chloromethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone

C13H13ClF3NO2 — CID 102937402

IUPAC[2-(chloromethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
SMILESCC1CN(C(=O)c2cc(F)c(F)c(F)c2)CC(CCl)O1
InChIInChI=1S/C13H13ClF3NO2/c1-7-5-18(6-9(4-14)20-7)13(19)8-2-10(15)12(17)11(16)3-8/h2-3,7,9H,4-6H2,1H3
InChIKeyDFUUCIOONRJYKK-UHFFFAOYSA-N
MW307.70 g/mol
LogP2.57
Rot. Bonds2

About [2-(chloromethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone

[2-(chloromethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone (PubChem CID 102937402) has the molecular formula C13H13ClF3NO2 and a molecular weight of 307.70 g/mol. Its IUPAC name is [2-(chloromethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
PubChem CID102937402
Molecular FormulaC13H13ClF3NO2
Molecular Weight307.70 g/mol
Exact Mass307.06
IUPAC Name[2-(chloromethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
SMILESCC1CN(C(=O)c2cc(F)c(F)c(F)c2)CC(CCl)O1
InChIInChI=1S/C13H13ClF3NO2/c1-7-5-18(6-9(4-14)20-7)13(19)8-2-10(15)12(17)11(16)3-8/h2-3,7,9H,4-6H2,1H3
InChIKeyDFUUCIOONRJYKK-UHFFFAOYSA-N
XLogP2.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.70
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 102932485
(3-bromo-5-chlorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 107941509
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 102937454
[3,5-difluoro-4-(methylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104960474
(3-chloro-2-fluorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 102937575
[4-(chloromethyl)phenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932344
(3-amino-5-fluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102931410
(3-amino-5-fluoro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 60862183
(5-chlorofuran-2-yl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 106690235
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(furan-2-yl)methanone
CID 102937304
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(4-fluoro-2-nitrophenyl)methanone
CID 102937599
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,5-dihydroxyphenyl)methanone
CID 107706233

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone?
The IUPAC name of [2-(chloromethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone (CID 102937402) is [2-(chloromethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone.
What is the SMILES notation for [2-(chloromethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone?
The canonical SMILES for [2-(chloromethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone is CC1CN(C(=O)c2cc(F)c(F)c(F)c2)CC(CCl)O1.
What is the InChIKey of [2-(chloromethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone?
The InChIKey is DFUUCIOONRJYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3NO2/c1-7-5-18(6-9(4-14)20-7)13(19)8-2-10(15)12(17)11(16)3-8/h2-3,7,9H,4-6H2,1H3.
What are the key properties of [2-(chloromethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone?
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone has a molecular weight of 307.70 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 102937402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).