4-(2-chloro-6-fluoro-4-methylphenyl)morpholine

C11H13ClFNO — CID 59613179

IUPAC4-(2-chloro-6-fluoro-4-methylphenyl)morpholine
SMILESCc1cc(F)c(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C11H13ClFNO/c1-8-6-9(12)11(10(13)7-8)14-2-4-15-5-3-14/h6-7H,2-5H2,1H3
InChIKeyMPPRIIDPNIXYPW-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.62
Rot. Bonds1

About 4-(2-chloro-6-fluoro-4-methylphenyl)morpholine

4-(2-chloro-6-fluoro-4-methylphenyl)morpholine (PubChem CID 59613179) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 4-(2-chloro-6-fluoro-4-methylphenyl)morpholine.

Molecular Properties

Compound Name4-(2-chloro-6-fluoro-4-methylphenyl)morpholine
PubChem CID59613179
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name4-(2-chloro-6-fluoro-4-methylphenyl)morpholine
SMILESCc1cc(F)c(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C11H13ClFNO/c1-8-6-9(12)11(10(13)7-8)14-2-4-15-5-3-14/h6-7H,2-5H2,1H3
InChIKeyMPPRIIDPNIXYPW-UHFFFAOYSA-N
XLogP2.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluoro-4-methylphenyl)morpholine?
The IUPAC name of 4-(2-chloro-6-fluoro-4-methylphenyl)morpholine (CID 59613179) is 4-(2-chloro-6-fluoro-4-methylphenyl)morpholine.
What is the SMILES notation for 4-(2-chloro-6-fluoro-4-methylphenyl)morpholine?
The canonical SMILES for 4-(2-chloro-6-fluoro-4-methylphenyl)morpholine is Cc1cc(F)c(N2CCOCC2)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-6-fluoro-4-methylphenyl)morpholine?
The InChIKey is MPPRIIDPNIXYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-8-6-9(12)11(10(13)7-8)14-2-4-15-5-3-14/h6-7H,2-5H2,1H3.
What are the key properties of 4-(2-chloro-6-fluoro-4-methylphenyl)morpholine?
4-(2-chloro-6-fluoro-4-methylphenyl)morpholine has a molecular weight of 229.68 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluoro-4-methylphenyl)morpholine is sourced from PubChem (CID 59613179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).