2-chloro-5-fluoro-4-morpholin-4-ylbenzoate

C11H10ClFNO3- — CID 3497323

IUPAC2-chloro-5-fluoro-4-morpholin-4-ylbenzoate
SMILESO=C([O-])c1cc(F)c(N2CCOCC2)cc1Cl
InChIInChI=1S/C11H11ClFNO3/c12-8-6-10(14-1-3-17-4-2-14)9(13)5-7(8)11(15)16/h5-6H,1-4H2,(H,15,16)/p-1
InChIKeyCCKOAMICTPMTRU-UHFFFAOYSA-M
MW258.66 g/mol
LogP0.68
Rot. Bonds2

About 2-chloro-5-fluoro-4-morpholin-4-ylbenzoate

2-chloro-5-fluoro-4-morpholin-4-ylbenzoate (PubChem CID 3497323) has the molecular formula C11H10ClFNO3- and a molecular weight of 258.66 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-morpholin-4-ylbenzoate.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-morpholin-4-ylbenzoate
PubChem CID3497323
Molecular FormulaC11H10ClFNO3-
Molecular Weight258.66 g/mol
Exact Mass258.03
IUPAC Name2-chloro-5-fluoro-4-morpholin-4-ylbenzoate
SMILESO=C([O-])c1cc(F)c(N2CCOCC2)cc1Cl
InChIInChI=1S/C11H11ClFNO3/c12-8-6-10(14-1-3-17-4-2-14)9(13)5-7(8)11(15)16/h5-6H,1-4H2,(H,15,16)/p-1
InChIKeyCCKOAMICTPMTRU-UHFFFAOYSA-M
XLogP0.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-(3,4-dimethylphenyl)methanone
CID 704470
4-chloro-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 4218611
sodium 2,4-dichloro-5-fluorobenzoate
CID 154641666
2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide
CID 55386691
5-[(2,6-dichlorophenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 7326704
2-methyl-3-morpholin-4-ylbenzoate
CID 7148425
2,4-dichloro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 126136661
2-morpholin-4-yl-5-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzoate
CID 2275514
2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 2433198
2-fluoro-5-morpholin-4-yl-4-nitrobenzoic acid
CID 104699515
4-(5-bromo-2-fluoro-4-nitrophenyl)morpholine
CID 2871883
N-(3,4-dichlorophenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine
CID 126139532

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-morpholin-4-ylbenzoate?
The IUPAC name of 2-chloro-5-fluoro-4-morpholin-4-ylbenzoate (CID 3497323) is 2-chloro-5-fluoro-4-morpholin-4-ylbenzoate.
What is the SMILES notation for 2-chloro-5-fluoro-4-morpholin-4-ylbenzoate?
The canonical SMILES for 2-chloro-5-fluoro-4-morpholin-4-ylbenzoate is O=C([O-])c1cc(F)c(N2CCOCC2)cc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-4-morpholin-4-ylbenzoate?
The InChIKey is CCKOAMICTPMTRU-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H11ClFNO3/c12-8-6-10(14-1-3-17-4-2-14)9(13)5-7(8)11(15)16/h5-6H,1-4H2,(H,15,16)/p-1.
What are the key properties of 2-chloro-5-fluoro-4-morpholin-4-ylbenzoate?
2-chloro-5-fluoro-4-morpholin-4-ylbenzoate has a molecular weight of 258.66 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-morpholin-4-ylbenzoate is sourced from PubChem (CID 3497323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).