[2-(chloromethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone

C13H19ClF3NO2 — CID 104622755

IUPAC[2-(chloromethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCCCC1C(F)(F)F)N1CCOC(CCl)C1
InChIInChI=1S/C13H19ClF3NO2/c14-7-9-8-18(5-6-20-9)12(19)10-3-1-2-4-11(10)13(15,16)17/h9-11H,1-8H2
InChIKeyVUAOKFBSVNKEQZ-UHFFFAOYSA-N
MW313.75 g/mol
LogP2.82
Rot. Bonds2

About [2-(chloromethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone

[2-(chloromethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 104622755) has the molecular formula C13H19ClF3NO2 and a molecular weight of 313.75 g/mol. Its IUPAC name is [2-(chloromethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[2-(chloromethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID104622755
Molecular FormulaC13H19ClF3NO2
Molecular Weight313.75 g/mol
Exact Mass313.11
IUPAC Name[2-(chloromethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCCCC1C(F)(F)F)N1CCOC(CCl)C1
InChIInChI=1S/C13H19ClF3NO2/c14-7-9-8-18(5-6-20-9)12(19)10-3-1-2-4-11(10)13(15,16)17/h9-11H,1-8H2
InChIKeyVUAOKFBSVNKEQZ-UHFFFAOYSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 52.82
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

azepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 115583695
1-[2-(chloromethyl)morpholin-4-yl]-2-cyclohexylethanone
CID 81210447
[3-(2-bromoethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 114801501
2-(2-ethylmorpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 43562559
piperazin-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
CID 119402656
1-[(1R,2R)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid
CID 97323784
[2-(chloromethyl)morpholin-4-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107003221
(4-tert-butylphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
CID 81210456
1-pyrrolidin-1-yl-2-[1-[2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]ethanone
CID 71893538
1-[2-(chloromethyl)morpholin-4-yl]butan-1-one
CID 81210002
cyclopentyl-[(2R)-2-(fluoromethyl)-1,4-oxazepan-4-yl]methanone
CID 129349008
1,4-diazepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
CID 119417244

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [2-(chloromethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone (CID 104622755) is [2-(chloromethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [2-(chloromethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [2-(chloromethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone is O=C(C1CCCCC1C(F)(F)F)N1CCOC(CCl)C1.
What is the InChIKey of [2-(chloromethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is VUAOKFBSVNKEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClF3NO2/c14-7-9-8-18(5-6-20-9)12(19)10-3-1-2-4-11(10)13(15,16)17/h9-11H,1-8H2.
What are the key properties of [2-(chloromethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
[2-(chloromethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 313.75 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 104622755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).