4-[(4-chloro-2,5-difluorophenyl)methyl]morpholine

C11H12ClF2NO — CID 59543863

IUPAC4-[(4-chloro-2,5-difluorophenyl)methyl]morpholine
SMILESFc1cc(CN2CCOCC2)c(F)cc1Cl
InChIInChI=1S/C11H12ClF2NO/c12-9-6-10(13)8(5-11(9)14)7-15-1-3-16-4-2-15/h5-6H,1-4,7H2
InChIKeyPTIUAMHXQMPLFC-UHFFFAOYSA-N
MW247.67 g/mol
LogP2.45
Rot. Bonds2

About 4-[(4-chloro-2,5-difluorophenyl)methyl]morpholine

4-[(4-chloro-2,5-difluorophenyl)methyl]morpholine (PubChem CID 59543863) has the molecular formula C11H12ClF2NO and a molecular weight of 247.67 g/mol. Its IUPAC name is 4-[(4-chloro-2,5-difluorophenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-chloro-2,5-difluorophenyl)methyl]morpholine
PubChem CID59543863
Molecular FormulaC11H12ClF2NO
Molecular Weight247.67 g/mol
Exact Mass247.06
IUPAC Name4-[(4-chloro-2,5-difluorophenyl)methyl]morpholine
SMILESFc1cc(CN2CCOCC2)c(F)cc1Cl
InChIInChI=1S/C11H12ClF2NO/c12-9-6-10(13)8(5-11(9)14)7-15-1-3-16-4-2-15/h5-6H,1-4,7H2
InChIKeyPTIUAMHXQMPLFC-UHFFFAOYSA-N
XLogP2.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.67
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-[(4-chloro-2,5-difluorophenyl)methyl]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

4-[(3-fluoro-5-iodo-2-methylphenyl)methyl]morpholine
CID 146419337
5-chloro-2-(morpholin-4-ylmethyl)benzonitrile
CID 118537804
ethane;3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline
CID 177223296
1-[(4-bromo-5-chloro-2-fluorophenyl)methyl]piperidine
CID 173262584
4-[(4-chloro-3-pyridinyl)methyl]morpholine
CID 66998174
4-[(5-fluoro-2-iodophenyl)methyl]morpholine
CID 154827579
2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol
CID 90293198
4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine
CID 178059917
4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine
CID 3043329
[1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]cyclopropyl]methanamine
CID 117415603
2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-methylpropan-1-ol
CID 117422004
5-chloro-2-(1,4-oxazepan-4-ylmethyl)aniline
CID 62986873

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2,5-difluorophenyl)methyl]morpholine?
The IUPAC name of 4-[(4-chloro-2,5-difluorophenyl)methyl]morpholine (CID 59543863) is 4-[(4-chloro-2,5-difluorophenyl)methyl]morpholine.
What is the SMILES notation for 4-[(4-chloro-2,5-difluorophenyl)methyl]morpholine?
The canonical SMILES for 4-[(4-chloro-2,5-difluorophenyl)methyl]morpholine is Fc1cc(CN2CCOCC2)c(F)cc1Cl.
What is the InChIKey of 4-[(4-chloro-2,5-difluorophenyl)methyl]morpholine?
The InChIKey is PTIUAMHXQMPLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO/c12-9-6-10(13)8(5-11(9)14)7-15-1-3-16-4-2-15/h5-6H,1-4,7H2.
What are the key properties of 4-[(4-chloro-2,5-difluorophenyl)methyl]morpholine?
4-[(4-chloro-2,5-difluorophenyl)methyl]morpholine has a molecular weight of 247.67 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2,5-difluorophenyl)methyl]morpholine is sourced from PubChem (CID 59543863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).