4-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)morpholine

C12H14Cl2FNO — CID 103050076

IUPAC4-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)morpholine
SMILESFc1ccc(Cl)cc1CN1CCOCC1CCl
InChIInChI=1S/C12H14Cl2FNO/c13-6-11-8-17-4-3-16(11)7-9-5-10(14)1-2-12(9)15/h1-2,5,11H,3-4,6-8H2
InChIKeyREOKIQUFTZRMRB-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.92
Rot. Bonds3

About 4-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)morpholine

4-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)morpholine (PubChem CID 103050076) has the molecular formula C12H14Cl2FNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 4-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)morpholine.

Molecular Properties

Compound Name4-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)morpholine
PubChem CID103050076
Molecular FormulaC12H14Cl2FNO
Molecular Weight278.15 g/mol
Exact Mass277.04
IUPAC Name4-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)morpholine
SMILESFc1ccc(Cl)cc1CN1CCOCC1CCl
InChIInChI=1S/C12H14Cl2FNO/c13-6-11-8-17-4-3-16(11)7-9-5-10(14)1-2-12(9)15/h1-2,5,11H,3-4,6-8H2
InChIKeyREOKIQUFTZRMRB-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[(2,5-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine
CID 83100433
[4-[(2-fluorophenyl)methyl]morpholin-3-yl]methanamine
CID 83095958
[4-[(3-chloro-4-fluorophenyl)methyl]morpholin-3-yl]methanamine
CID 103038281
2-(2-chloroethyl)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine
CID 103049964
[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol
CID 103881513
2-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine
CID 65318647
4-[(4-bromo-2-fluorophenyl)methyl]-3-ethylmorpholine
CID 54971347
[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methanol
CID 102858362
1-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)azetidine
CID 130531144
3-(chloromethyl)-4-(quinolin-3-ylmethyl)morpholine
CID 114203594
2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 114866950
[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methanamine
CID 18933378

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)morpholine?
The IUPAC name of 4-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)morpholine (CID 103050076) is 4-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)morpholine.
What is the SMILES notation for 4-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)morpholine?
The canonical SMILES for 4-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)morpholine is Fc1ccc(Cl)cc1CN1CCOCC1CCl.
What is the InChIKey of 4-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)morpholine?
The InChIKey is REOKIQUFTZRMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2FNO/c13-6-11-8-17-4-3-16(11)7-9-5-10(14)1-2-12(9)15/h1-2,5,11H,3-4,6-8H2.
What are the key properties of 4-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)morpholine?
4-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)morpholine has a molecular weight of 278.15 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)morpholine is sourced from PubChem (CID 103050076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).