2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine

C12H15ClFNO — CID 81213684

IUPAC2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine
SMILESFc1cccc(CN2CCOC(CCl)C2)c1
InChIInChI=1S/C12H15ClFNO/c13-7-12-9-15(4-5-16-12)8-10-2-1-3-11(14)6-10/h1-3,6,12H,4-5,7-9H2
InChIKeyUUTPKHSJMSLEJB-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.27
Rot. Bonds3

About 2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine

2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine (PubChem CID 81213684) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine
PubChem CID81213684
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine
SMILESFc1cccc(CN2CCOC(CCl)C2)c1
InChIInChI=1S/C12H15ClFNO/c13-7-12-9-15(4-5-16-12)8-10-2-1-3-11(14)6-10/h1-3,6,12H,4-5,7-9H2
InChIKeyUUTPKHSJMSLEJB-UHFFFAOYSA-N
XLogP2.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.27
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)-4-[(3-methoxyphenyl)methyl]morpholine
CID 81213549
4-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 81214267
4-[(2-ethylpyrimidin-5-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholine
CID 45197160
2-(chloromethyl)-4-(pyridin-4-ylmethyl)morpholine
CID 81210247
(2R)-2-[(3-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)morpholine
CID 95135538
[4-[(3-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800439
4-[(2-chloro-3-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 112654434
4-[(3-fluorophenyl)methyl]-2-pyridin-2-ylmorpholine
CID 110270812
5-[[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine
CID 95552056
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
4-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 81210968
(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine
CID 29185207

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine?
The IUPAC name of 2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine (CID 81213684) is 2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine.
What is the SMILES notation for 2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine?
The canonical SMILES for 2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine is Fc1cccc(CN2CCOC(CCl)C2)c1.
What is the InChIKey of 2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine?
The InChIKey is UUTPKHSJMSLEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-7-12-9-15(4-5-16-12)8-10-2-1-3-11(14)6-10/h1-3,6,12H,4-5,7-9H2.
What are the key properties of 2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine?
2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine has a molecular weight of 243.71 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine is sourced from PubChem (CID 81213684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).