2-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]morpholine

C12H15ClFNO2 — CID 117403395

IUPAC2-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]morpholine
SMILESCOCc1cc(Cl)cc(C2CNCCO2)c1F
InChIInChI=1S/C12H15ClFNO2/c1-16-7-8-4-9(13)5-10(12(8)14)11-6-15-2-3-17-11/h4-5,11,15H,2-3,6-7H2,1H3
InChIKeyGJCPKIPULYNZKE-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.29
Rot. Bonds3

About 2-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]morpholine

2-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]morpholine (PubChem CID 117403395) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 2-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]morpholine.

Molecular Properties

Compound Name2-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]morpholine
PubChem CID117403395
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name2-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]morpholine
SMILESCOCc1cc(Cl)cc(C2CNCCO2)c1F
InChIInChI=1S/C12H15ClFNO2/c1-16-7-8-4-9(13)5-10(12(8)14)11-6-15-2-3-17-11/h4-5,11,15H,2-3,6-7H2,1H3
InChIKeyGJCPKIPULYNZKE-UHFFFAOYSA-N
XLogP2.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-3-methoxy-2-methylphenyl)morpholine
CID 117356511
4-chloro-2-fluoro-6-morpholin-2-ylphenol
CID 117335358
2-(2-fluoro-5-methoxy-3-methylphenyl)morpholine
CID 84790102
2-(2-chloro-4,5-dimethoxyphenyl)morpholine
CID 117397861
2-(2-fluoro-3,6-dimethoxyphenyl)morpholine
CID 84800876
2-(5-chloro-4-methoxy-2-methylphenyl)morpholine
CID 82293184
2-(5-chloro-3,4-dimethoxy-2-methylphenyl)morpholine
CID 117432130
2-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)morpholine
CID 117479367
2-[4-methoxy-3-(methoxymethyl)phenyl]morpholine
CID 117346859
2-(2-chloro-3,6-difluorophenyl)morpholine
CID 117339537
2-chloro-3-fluoro-4-morpholin-2-ylphenol
CID 117335357
2-(4-bromo-2-chloro-3-fluorophenyl)morpholine
CID 117475166

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]morpholine?
The IUPAC name of 2-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]morpholine (CID 117403395) is 2-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]morpholine.
What is the SMILES notation for 2-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]morpholine?
The canonical SMILES for 2-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]morpholine is COCc1cc(Cl)cc(C2CNCCO2)c1F.
What is the InChIKey of 2-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]morpholine?
The InChIKey is GJCPKIPULYNZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-16-7-8-4-9(13)5-10(12(8)14)11-6-15-2-3-17-11/h4-5,11,15H,2-3,6-7H2,1H3.
What are the key properties of 2-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]morpholine?
2-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]morpholine has a molecular weight of 259.71 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]morpholine is sourced from PubChem (CID 117403395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).