2-[2-[2-(3,4-difluorophenyl)morpholin-4-yl]ethoxy]ethanol

C14H19F2NO3 — CID 111432790

IUPAC2-[2-[2-(3,4-difluorophenyl)morpholin-4-yl]ethoxy]ethanol
SMILESOCCOCCN1CCOC(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H19F2NO3/c15-12-2-1-11(9-13(12)16)14-10-17(4-7-20-14)3-6-19-8-5-18/h1-2,9,14,18H,3-8,10H2
InChIKeyULMCHLWLQDLLEF-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.35
Rot. Bonds6

About 2-[2-[2-(3,4-difluorophenyl)morpholin-4-yl]ethoxy]ethanol

2-[2-[2-(3,4-difluorophenyl)morpholin-4-yl]ethoxy]ethanol (PubChem CID 111432790) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-[2-[2-(3,4-difluorophenyl)morpholin-4-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(3,4-difluorophenyl)morpholin-4-yl]ethoxy]ethanol
PubChem CID111432790
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Name2-[2-[2-(3,4-difluorophenyl)morpholin-4-yl]ethoxy]ethanol
SMILESOCCOCCN1CCOC(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H19F2NO3/c15-12-2-1-11(9-13(12)16)14-10-17(4-7-20-14)3-6-19-8-5-18/h1-2,9,14,18H,3-8,10H2
InChIKeyULMCHLWLQDLLEF-UHFFFAOYSA-N
XLogP1.35
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[2-(3,4-difluorophenyl)morpholin-4-yl]ethoxy]ethanol 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

methyl 3-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]propanoate
CID 95175743
tert-butyl N-[3-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]propyl]carbamate
CID 124889856
2-[2-[2-(2-chlorophenyl)morpholin-4-yl]ethoxy]ethanol
CID 111432795
(2R)-2-(3,4-difluorophenyl)-4-[(2S)-2-[(2S)-3-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]morpholine
CID 142767961
2-[2-[(2S)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]ethoxy]ethanol
CID 95971091
3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol
CID 95175790
1-cyclohexyloxy-3-[2-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol
CID 138959087
5-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899753
1-benzhydryloxy-3-[2-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol
CID 138959078
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(4-methylphenoxy)propan-2-ol
CID 138959012
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol
CID 138959020
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138959039

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3,4-difluorophenyl)morpholin-4-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(3,4-difluorophenyl)morpholin-4-yl]ethoxy]ethanol (CID 111432790) is 2-[2-[2-(3,4-difluorophenyl)morpholin-4-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(3,4-difluorophenyl)morpholin-4-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(3,4-difluorophenyl)morpholin-4-yl]ethoxy]ethanol is OCCOCCN1CCOC(c2ccc(F)c(F)c2)C1.
What is the InChIKey of 2-[2-[2-(3,4-difluorophenyl)morpholin-4-yl]ethoxy]ethanol?
The InChIKey is ULMCHLWLQDLLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c15-12-2-1-11(9-13(12)16)14-10-17(4-7-20-14)3-6-19-8-5-18/h1-2,9,14,18H,3-8,10H2.
What are the key properties of 2-[2-[2-(3,4-difluorophenyl)morpholin-4-yl]ethoxy]ethanol?
2-[2-[2-(3,4-difluorophenyl)morpholin-4-yl]ethoxy]ethanol has a molecular weight of 287.31 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3,4-difluorophenyl)morpholin-4-yl]ethoxy]ethanol is sourced from PubChem (CID 111432790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).