2-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]morpholine

C12H14BrClFNO — CID 81213276

IUPAC2-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]morpholine
SMILESFc1ccc(CN2CCOC(CBr)C2)c(Cl)c1
InChIInChI=1S/C12H14BrClFNO/c13-6-11-8-16(3-4-17-11)7-9-1-2-10(15)5-12(9)14/h1-2,5,11H,3-4,6-8H2
InChIKeyDSHGZMDHHKVITC-UHFFFAOYSA-N
MW322.61 g/mol
LogP3.07
Rot. Bonds3

About 2-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]morpholine

2-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]morpholine (PubChem CID 81213276) has the molecular formula C12H14BrClFNO and a molecular weight of 322.61 g/mol. Its IUPAC name is 2-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]morpholine
PubChem CID81213276
Molecular FormulaC12H14BrClFNO
Molecular Weight322.61 g/mol
Exact Mass320.99
IUPAC Name2-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]morpholine
SMILESFc1ccc(CN2CCOC(CBr)C2)c(Cl)c1
InChIInChI=1S/C12H14BrClFNO/c13-6-11-8-16(3-4-17-11)7-9-1-2-10(15)5-12(9)14/h1-2,5,11H,3-4,6-8H2
InChIKeyDSHGZMDHHKVITC-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.61
LogP ≤ 53.07
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

4-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 81214267
4-[(2-chloro-4-fluorophenyl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane
CID 74241217
4-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine
CID 81212861
2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methyl]morpholine
CID 103041391
2-(bromomethyl)-4-[(2-chloro-3-fluorophenyl)methyl]morpholine
CID 112654433
4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine
CID 115598233
(2R)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316109
[4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 114393379
4-[[2-[(2-chloro-4-fluorophenyl)methyl]morpholin-4-yl]methyl]-5-cyclopropyl-2-fluorobenzoic acid;hydrochloride
CID 118111239
[2-(bromomethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone
CID 81211544
(2S)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrimidin-4-yl)morpholine
CID 124962421
2-(bromomethyl)-4-[(5-chlorothiophen-2-yl)methyl]morpholine
CID 81213537

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]morpholine?
The IUPAC name of 2-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]morpholine (CID 81213276) is 2-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]morpholine.
What is the SMILES notation for 2-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]morpholine?
The canonical SMILES for 2-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]morpholine is Fc1ccc(CN2CCOC(CBr)C2)c(Cl)c1.
What is the InChIKey of 2-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]morpholine?
The InChIKey is DSHGZMDHHKVITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClFNO/c13-6-11-8-16(3-4-17-11)7-9-1-2-10(15)5-12(9)14/h1-2,5,11H,3-4,6-8H2.
What are the key properties of 2-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]morpholine?
2-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]morpholine has a molecular weight of 322.61 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]morpholine is sourced from PubChem (CID 81213276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).