4-[1-[3-(chloromethyl)-5-fluorophenyl]pyrrolidin-3-yl]morpholine

C15H20ClFN2O — CID 106530449

IUPAC4-[1-[3-(chloromethyl)-5-fluorophenyl]pyrrolidin-3-yl]morpholine
SMILESFc1cc(CCl)cc(N2CCC(N3CCOCC3)C2)c1
InChIInChI=1S/C15H20ClFN2O/c16-10-12-7-13(17)9-15(8-12)19-2-1-14(11-19)18-3-5-20-6-4-18/h7-9,14H,1-6,10-11H2
InChIKeyICEGWXVNHBLVDW-UHFFFAOYSA-N
MW298.79 g/mol
LogP2.48
Rot. Bonds3

About 4-[1-[3-(chloromethyl)-5-fluorophenyl]pyrrolidin-3-yl]morpholine

4-[1-[3-(chloromethyl)-5-fluorophenyl]pyrrolidin-3-yl]morpholine (PubChem CID 106530449) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is 4-[1-[3-(chloromethyl)-5-fluorophenyl]pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[3-(chloromethyl)-5-fluorophenyl]pyrrolidin-3-yl]morpholine
PubChem CID106530449
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC Name4-[1-[3-(chloromethyl)-5-fluorophenyl]pyrrolidin-3-yl]morpholine
SMILESFc1cc(CCl)cc(N2CCC(N3CCOCC3)C2)c1
InChIInChI=1S/C15H20ClFN2O/c16-10-12-7-13(17)9-15(8-12)19-2-1-14(11-19)18-3-5-20-6-4-18/h7-9,14H,1-6,10-11H2
InChIKeyICEGWXVNHBLVDW-UHFFFAOYSA-N
XLogP2.48
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-fluoro-5-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]methanol
CID 106529890
1-[3-(chloromethyl)-5-fluorophenyl]azocane
CID 106530289
1-[3-(chloromethyl)-5-fluorophenyl]-3-methoxypiperidine
CID 106530547
1-[4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 63794882
[2-(3-morpholin-4-ylpyrrolidin-1-yl)-4-pyridinyl]methanol
CID 63171090
4-[1-[6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
CID 133484407
1-[3-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]-N-methylmethanamine
CID 81144025
3,4-difluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)aniline
CID 63168232
1-[4-(chloromethyl)-2-fluorophenyl]-3-pyrrolidin-1-ylpyrrolidine
CID 63170129
1-[1-[4-(chloromethyl)-2-fluorophenyl]pyrrolidin-3-yl]piperidine
CID 63170307
(1S)-1-[5-fluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 78930853
4-[1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]pyrrolidin-3-yl]morpholine
CID 83184055

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(chloromethyl)-5-fluorophenyl]pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[1-[3-(chloromethyl)-5-fluorophenyl]pyrrolidin-3-yl]morpholine (CID 106530449) is 4-[1-[3-(chloromethyl)-5-fluorophenyl]pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[3-(chloromethyl)-5-fluorophenyl]pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[3-(chloromethyl)-5-fluorophenyl]pyrrolidin-3-yl]morpholine is Fc1cc(CCl)cc(N2CCC(N3CCOCC3)C2)c1.
What is the InChIKey of 4-[1-[3-(chloromethyl)-5-fluorophenyl]pyrrolidin-3-yl]morpholine?
The InChIKey is ICEGWXVNHBLVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O/c16-10-12-7-13(17)9-15(8-12)19-2-1-14(11-19)18-3-5-20-6-4-18/h7-9,14H,1-6,10-11H2.
What are the key properties of 4-[1-[3-(chloromethyl)-5-fluorophenyl]pyrrolidin-3-yl]morpholine?
4-[1-[3-(chloromethyl)-5-fluorophenyl]pyrrolidin-3-yl]morpholine has a molecular weight of 298.79 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(chloromethyl)-5-fluorophenyl]pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 106530449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).