(2R)-2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine

C12H15ClFNO2 — CID 11536232

IUPAC(2R)-2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine
SMILESCOc1cc(F)c(C[C@@H]2CNCCO2)cc1Cl
InChIInChI=1S/C12H15ClFNO2/c1-16-12-6-11(14)8(5-10(12)13)4-9-7-15-2-3-17-9/h5-6,9,15H,2-4,7H2,1H3/t9-/m1/s1
InChIKeyZYUONOKVHYKSFS-SECBINFHSA-N
MW259.71 g/mol
LogP2.02
Rot. Bonds3

About (2R)-2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine

(2R)-2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine (PubChem CID 11536232) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is (2R)-2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine
PubChem CID11536232
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name(2R)-2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine
SMILESCOc1cc(F)c(C[C@@H]2CNCCO2)cc1Cl
InChIInChI=1S/C12H15ClFNO2/c1-16-12-6-11(14)8(5-10(12)13)4-9-7-15-2-3-17-9/h5-6,9,15H,2-4,7H2,1H3/t9-/m1/s1
InChIKeyZYUONOKVHYKSFS-SECBINFHSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine?
The IUPAC name of (2R)-2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine (CID 11536232) is (2R)-2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine.
What is the SMILES notation for (2R)-2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine?
The canonical SMILES for (2R)-2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine is COc1cc(F)c(C[C@@H]2CNCCO2)cc1Cl.
What is the InChIKey of (2R)-2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine?
The InChIKey is ZYUONOKVHYKSFS-SECBINFHSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-16-12-6-11(14)8(5-10(12)13)4-9-7-15-2-3-17-9/h5-6,9,15H,2-4,7H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine?
(2R)-2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine has a molecular weight of 259.71 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine is sourced from PubChem (CID 11536232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).