2-[4-[(3-chloro-5-fluorophenyl)methyl]morpholin-2-yl]ethanol

C13H17ClFNO2 — CID 77087045

IUPAC2-[4-[(3-chloro-5-fluorophenyl)methyl]morpholin-2-yl]ethanol
SMILESOCCC1CN(Cc2cc(F)cc(Cl)c2)CCO1
InChIInChI=1S/C13H17ClFNO2/c14-11-5-10(6-12(15)7-11)8-16-2-4-18-13(9-16)1-3-17/h5-7,13,17H,1-4,8-9H2
InChIKeyAELZJPXTYMIPCB-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.06
Rot. Bonds4

About 2-[4-[(3-chloro-5-fluorophenyl)methyl]morpholin-2-yl]ethanol

2-[4-[(3-chloro-5-fluorophenyl)methyl]morpholin-2-yl]ethanol (PubChem CID 77087045) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is 2-[4-[(3-chloro-5-fluorophenyl)methyl]morpholin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3-chloro-5-fluorophenyl)methyl]morpholin-2-yl]ethanol
PubChem CID77087045
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC Name2-[4-[(3-chloro-5-fluorophenyl)methyl]morpholin-2-yl]ethanol
SMILESOCCC1CN(Cc2cc(F)cc(Cl)c2)CCO1
InChIInChI=1S/C13H17ClFNO2/c14-11-5-10(6-12(15)7-11)8-16-2-4-18-13(9-16)1-3-17/h5-7,13,17H,1-4,8-9H2
InChIKeyAELZJPXTYMIPCB-UHFFFAOYSA-N
XLogP2.06
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-benzylmorpholin-2-yl)propan-1-ol
CID 23079673
2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine
CID 81213684
2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methyl]morpholine
CID 103041391
[4-(pyridin-4-ylmethyl)morpholin-2-yl]methanol
CID 79841050
1-[(6R)-4-[(3-chloro-5-fluorophenyl)methyl]-1,4-oxazepan-6-yl]-N,N-dimethylmethanamine
CID 99946229
[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine
CID 114393433
[4-[(3-bromo-4-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 79833294
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
2-[(2S)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]ethanol
CID 95394340
[4-[(4-amino-3-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 81205798
[4-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholin-2-yl]methanol
CID 117045082
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-5-fluorophenyl)methyl]morpholin-2-yl]ethanol?
The IUPAC name of 2-[4-[(3-chloro-5-fluorophenyl)methyl]morpholin-2-yl]ethanol (CID 77087045) is 2-[4-[(3-chloro-5-fluorophenyl)methyl]morpholin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(3-chloro-5-fluorophenyl)methyl]morpholin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(3-chloro-5-fluorophenyl)methyl]morpholin-2-yl]ethanol is OCCC1CN(Cc2cc(F)cc(Cl)c2)CCO1.
What is the InChIKey of 2-[4-[(3-chloro-5-fluorophenyl)methyl]morpholin-2-yl]ethanol?
The InChIKey is AELZJPXTYMIPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c14-11-5-10(6-12(15)7-11)8-16-2-4-18-13(9-16)1-3-17/h5-7,13,17H,1-4,8-9H2.
What are the key properties of 2-[4-[(3-chloro-5-fluorophenyl)methyl]morpholin-2-yl]ethanol?
2-[4-[(3-chloro-5-fluorophenyl)methyl]morpholin-2-yl]ethanol has a molecular weight of 273.73 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-5-fluorophenyl)methyl]morpholin-2-yl]ethanol is sourced from PubChem (CID 77087045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).