2-[4-[1-(2,4-dichloro-5-fluorophenyl)ethyl]morpholin-2-yl]acetic acid

C14H16Cl2FNO3 — CID 66435297

IUPAC2-[4-[1-(2,4-dichloro-5-fluorophenyl)ethyl]morpholin-2-yl]acetic acid
SMILESCC(c1cc(F)c(Cl)cc1Cl)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H16Cl2FNO3/c1-8(10-5-13(17)12(16)6-11(10)15)18-2-3-21-9(7-18)4-14(19)20/h5-6,8-9H,2-4,7H2,1H3,(H,19,20)
InChIKeyIXUWCGVWWCFPGA-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.37
Rot. Bonds4

About 2-[4-[1-(2,4-dichloro-5-fluorophenyl)ethyl]morpholin-2-yl]acetic acid

2-[4-[1-(2,4-dichloro-5-fluorophenyl)ethyl]morpholin-2-yl]acetic acid (PubChem CID 66435297) has the molecular formula C14H16Cl2FNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-[4-[1-(2,4-dichloro-5-fluorophenyl)ethyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(2,4-dichloro-5-fluorophenyl)ethyl]morpholin-2-yl]acetic acid
PubChem CID66435297
Molecular FormulaC14H16Cl2FNO3
Molecular Weight336.19 g/mol
Exact Mass335.05
IUPAC Name2-[4-[1-(2,4-dichloro-5-fluorophenyl)ethyl]morpholin-2-yl]acetic acid
SMILESCC(c1cc(F)c(Cl)cc1Cl)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H16Cl2FNO3/c1-8(10-5-13(17)12(16)6-11(10)15)18-2-3-21-9(7-18)4-14(19)20/h5-6,8-9H,2-4,7H2,1H3,(H,19,20)
InChIKeyIXUWCGVWWCFPGA-UHFFFAOYSA-N
XLogP3.37
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[(2-Chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63904769
3-[1-[(2-Chloro-6-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63905321
3-(2,4-Dichloro-5-fluorophenyl)-3-morpholin-4-ylbutanoic acid
CID 64526955
1-[1-(2,4-Dichloro-5-fluorophenyl)ethyl]piperidine-4-carboxylic acid
CID 65054127
1-[1-(2,4-Dichloro-5-fluorophenyl)ethyl]piperidine-2-carboxylic acid
CID 65054376
4-[1-(2,4-Dichloro-5-fluorophenyl)ethyl-propan-2-ylamino]butanoic acid
CID 65058875
2-[1-[1-(2,4-Dichloro-5-fluorophenyl)ethyl]piperidin-3-yl]acetic acid
CID 65059903
1-[1-(2,4-Dichloro-5-fluorophenyl)ethyl]-4-methylpiperidine-4-carboxylic acid
CID 65065006
3-[1-[(4-Chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 65066052
2-[1-(2,4-Dichloro-5-fluorophenyl)ethyl-(2-methoxyethyl)amino]acetic acid
CID 65066964
4-[1-(2,4-Dichloro-5-fluorophenyl)ethyl]morpholine-2-carboxylic acid
CID 65067624
2-[1-(2,4-Dichloro-5-fluorophenyl)ethyl-methylamino]butanoic acid
CID 65067845

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2,4-dichloro-5-fluorophenyl)ethyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[1-(2,4-dichloro-5-fluorophenyl)ethyl]morpholin-2-yl]acetic acid (CID 66435297) is 2-[4-[1-(2,4-dichloro-5-fluorophenyl)ethyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-(2,4-dichloro-5-fluorophenyl)ethyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[1-(2,4-dichloro-5-fluorophenyl)ethyl]morpholin-2-yl]acetic acid is CC(c1cc(F)c(Cl)cc1Cl)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[1-(2,4-dichloro-5-fluorophenyl)ethyl]morpholin-2-yl]acetic acid?
The InChIKey is IXUWCGVWWCFPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2FNO3/c1-8(10-5-13(17)12(16)6-11(10)15)18-2-3-21-9(7-18)4-14(19)20/h5-6,8-9H,2-4,7H2,1H3,(H,19,20).
What are the key properties of 2-[4-[1-(2,4-dichloro-5-fluorophenyl)ethyl]morpholin-2-yl]acetic acid?
2-[4-[1-(2,4-dichloro-5-fluorophenyl)ethyl]morpholin-2-yl]acetic acid has a molecular weight of 336.19 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2,4-dichloro-5-fluorophenyl)ethyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66435297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).