3-(4-chloro-3-fluorophenyl)-3-morpholin-4-ylpropanoic acid

C13H15ClFNO3 — CID 64528321

IUPAC3-(4-chloro-3-fluorophenyl)-3-morpholin-4-ylpropanoic acid
SMILESO=C(O)CC(c1ccc(Cl)c(F)c1)N1CCOCC1
InChIInChI=1S/C13H15ClFNO3/c14-10-2-1-9(7-11(10)15)12(8-13(17)18)16-3-5-19-6-4-16/h1-2,7,12H,3-6,8H2,(H,17,18)
InChIKeyJJKWCSNRQZRVLQ-UHFFFAOYSA-N
MW287.72 g/mol
LogP2.33
Rot. Bonds4

About 3-(4-chloro-3-fluorophenyl)-3-morpholin-4-ylpropanoic acid

3-(4-chloro-3-fluorophenyl)-3-morpholin-4-ylpropanoic acid (PubChem CID 64528321) has the molecular formula C13H15ClFNO3 and a molecular weight of 287.72 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-3-morpholin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-3-morpholin-4-ylpropanoic acid
PubChem CID64528321
Molecular FormulaC13H15ClFNO3
Molecular Weight287.72 g/mol
Exact Mass287.07
IUPAC Name3-(4-chloro-3-fluorophenyl)-3-morpholin-4-ylpropanoic acid
SMILESO=C(O)CC(c1ccc(Cl)c(F)c1)N1CCOCC1
InChIInChI=1S/C13H15ClFNO3/c14-10-2-1-9(7-11(10)15)12(8-13(17)18)16-3-5-19-6-4-16/h1-2,7,12H,3-6,8H2,(H,17,18)
InChIKeyJJKWCSNRQZRVLQ-UHFFFAOYSA-N
XLogP2.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-3-fluorophenyl)-3-morpholin-4-ylpropanoic acid
CID 81440796
3-(3-bromo-4-fluorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64528121
3-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64526353
3-(2,4-dichlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64527920
3-(azepan-1-yl)-3-(3-chloro-4-fluorophenyl)propanoic acid
CID 81160650
3-(3-bromo-4-methylphenyl)-3-morpholin-4-ylpropanoic acid
CID 105403444
3-(azepan-1-yl)-3-(3,4-dichlorophenyl)propanoic acid
CID 64526745
3-(2-chlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64526362
(3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 8022836
3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 64527154
3-(azepan-1-yl)-3-(4-bromo-3-fluorophenyl)propanoic acid
CID 81440678
(3S)-3-amino-3-(4-chloro-3-fluorophenyl)propanoic acid
CID 78974752

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-3-morpholin-4-ylpropanoic acid?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-3-morpholin-4-ylpropanoic acid (CID 64528321) is 3-(4-chloro-3-fluorophenyl)-3-morpholin-4-ylpropanoic acid.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-3-morpholin-4-ylpropanoic acid?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-3-morpholin-4-ylpropanoic acid is O=C(O)CC(c1ccc(Cl)c(F)c1)N1CCOCC1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-3-morpholin-4-ylpropanoic acid?
The InChIKey is JJKWCSNRQZRVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO3/c14-10-2-1-9(7-11(10)15)12(8-13(17)18)16-3-5-19-6-4-16/h1-2,7,12H,3-6,8H2,(H,17,18).
What are the key properties of 3-(4-chloro-3-fluorophenyl)-3-morpholin-4-ylpropanoic acid?
3-(4-chloro-3-fluorophenyl)-3-morpholin-4-ylpropanoic acid has a molecular weight of 287.72 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-3-morpholin-4-ylpropanoic acid is sourced from PubChem (CID 64528321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).