[2-(chloromethyl)morpholin-4-yl]-(4-fluoro-3-methylphenyl)methanone

C13H15ClFNO2 — CID 81210108

IUPAC[2-(chloromethyl)morpholin-4-yl]-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCOC(CCl)C2)ccc1F
InChIInChI=1S/C13H15ClFNO2/c1-9-6-10(2-3-12(9)15)13(17)16-4-5-18-11(7-14)8-16/h2-3,6,11H,4-5,7-8H2,1H3
InChIKeyMZTXXQCMZOKJHD-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.21
Rot. Bonds2

About [2-(chloromethyl)morpholin-4-yl]-(4-fluoro-3-methylphenyl)methanone

[2-(chloromethyl)morpholin-4-yl]-(4-fluoro-3-methylphenyl)methanone (PubChem CID 81210108) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is [2-(chloromethyl)morpholin-4-yl]-(4-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)morpholin-4-yl]-(4-fluoro-3-methylphenyl)methanone
PubChem CID81210108
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name[2-(chloromethyl)morpholin-4-yl]-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCOC(CCl)C2)ccc1F
InChIInChI=1S/C13H15ClFNO2/c1-9-6-10(2-3-12(9)15)13(17)16-4-5-18-11(7-14)8-16/h2-3,6,11H,4-5,7-8H2,1H3
InChIKeyMZTXXQCMZOKJHD-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
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)morpholin-4-yl]-(3,4-dimethoxyphenyl)methanone
CID 81210339
(4-tert-butylphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
CID 81210456
2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66421551
[2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone
CID 81210817
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
(3,4-difluorophenyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone
CID 46100398
(4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 112705730
[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 133116929
(4-fluoro-3-methylphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75474850
(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207977
(4-fluoro-3-methylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55163647
[2-(chloromethyl)morpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 81211064

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)morpholin-4-yl]-(4-fluoro-3-methylphenyl)methanone?
The IUPAC name of [2-(chloromethyl)morpholin-4-yl]-(4-fluoro-3-methylphenyl)methanone (CID 81210108) is [2-(chloromethyl)morpholin-4-yl]-(4-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for [2-(chloromethyl)morpholin-4-yl]-(4-fluoro-3-methylphenyl)methanone?
The canonical SMILES for [2-(chloromethyl)morpholin-4-yl]-(4-fluoro-3-methylphenyl)methanone is Cc1cc(C(=O)N2CCOC(CCl)C2)ccc1F.
What is the InChIKey of [2-(chloromethyl)morpholin-4-yl]-(4-fluoro-3-methylphenyl)methanone?
The InChIKey is MZTXXQCMZOKJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c1-9-6-10(2-3-12(9)15)13(17)16-4-5-18-11(7-14)8-16/h2-3,6,11H,4-5,7-8H2,1H3.
What are the key properties of [2-(chloromethyl)morpholin-4-yl]-(4-fluoro-3-methylphenyl)methanone?
[2-(chloromethyl)morpholin-4-yl]-(4-fluoro-3-methylphenyl)methanone has a molecular weight of 271.72 g/mol, XLogP of 2.21, 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]-(4-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 81210108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).