2-(2-morpholin-4-ylethoxy)propanoyl fluoride

C9H16FNO3 — CID 139604150

IUPAC2-(2-morpholin-4-ylethoxy)propanoyl fluoride
SMILESCC(OCCN1CCOCC1)C(=O)F
InChIInChI=1S/C9H16FNO3/c1-8(9(10)12)14-7-4-11-2-5-13-6-3-11/h8H,2-7H2,1H3
InChIKeyWQTDIYUEQOPIHI-UHFFFAOYSA-N
MW205.23 g/mol
LogP0.22
Rot. Bonds5

About 2-(2-morpholin-4-ylethoxy)propanoyl fluoride

2-(2-morpholin-4-ylethoxy)propanoyl fluoride (PubChem CID 139604150) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethoxy)propanoyl fluoride.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethoxy)propanoyl fluoride
PubChem CID139604150
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Name2-(2-morpholin-4-ylethoxy)propanoyl fluoride
SMILESCC(OCCN1CCOCC1)C(=O)F
InChIInChI=1S/C9H16FNO3/c1-8(9(10)12)14-7-4-11-2-5-13-6-3-11/h8H,2-7H2,1H3
InChIKeyWQTDIYUEQOPIHI-UHFFFAOYSA-N
XLogP0.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-morpholin-4-ylethoxy)propanoyl fluoride 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

ethane;2-morpholin-4-ylethyl 2-methylpropanoate
CID 156731056
2-morpholin-4-yl-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone
CID 55506472
4-(2-propan-2-yloxyethyl)morpholine;1-(2-propan-2-yloxyethyl)piperidine
CID 158440529
N,N-dimethyl-1-(2-morpholin-4-ylethoxy)ethanamine
CID 123734761
2-methoxy-1-(2-morpholin-4-ylethoxy)ethanol
CID 135137976
2-hydroxyethyl 2-methylpropanoate;2-morpholin-4-ylethyl 2-methylpropanoate
CID 158502443
4-[2-[(Z)-hex-3-en-2-yl]oxyethyl]morpholine
CID 138716178
ethane;3-morpholin-4-ylpropyl 2-methylpropanoate
CID 172564142
2-morpholin-4-ylethyl 2-bromobutanoate
CID 118876089
2-(dimethylamino)-2-(2-morpholin-4-ylethoxy)ethanol
CID 57113419
2-morpholin-4-yl-1-[4-(4-propan-2-yloxybutyl)piperazin-1-yl]ethanone
CID 176777461
bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethoxy)propanoyl fluoride?
The IUPAC name of 2-(2-morpholin-4-ylethoxy)propanoyl fluoride (CID 139604150) is 2-(2-morpholin-4-ylethoxy)propanoyl fluoride.
What is the SMILES notation for 2-(2-morpholin-4-ylethoxy)propanoyl fluoride?
The canonical SMILES for 2-(2-morpholin-4-ylethoxy)propanoyl fluoride is CC(OCCN1CCOCC1)C(=O)F.
What is the InChIKey of 2-(2-morpholin-4-ylethoxy)propanoyl fluoride?
The InChIKey is WQTDIYUEQOPIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-8(9(10)12)14-7-4-11-2-5-13-6-3-11/h8H,2-7H2,1H3.
What are the key properties of 2-(2-morpholin-4-ylethoxy)propanoyl fluoride?
2-(2-morpholin-4-ylethoxy)propanoyl fluoride has a molecular weight of 205.23 g/mol, XLogP of 0.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethoxy)propanoyl fluoride is sourced from PubChem (CID 139604150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).