2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine

C17H17ClFNO2 — CID 68597322

IUPAC2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine
SMILESFc1cc(Cl)ccc1OC(c1ccccc1)C1CNCCO1
InChIInChI=1S/C17H17ClFNO2/c18-13-6-7-15(14(19)10-13)22-17(12-4-2-1-3-5-12)16-11-20-8-9-21-16/h1-7,10,16-17,20H,8-9,11H2
InChIKeyQAVAOALJPCHJRS-UHFFFAOYSA-N
MW321.78 g/mol
LogP3.59
Rot. Bonds4

About 2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine

2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine (PubChem CID 68597322) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine
PubChem CID68597322
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC Name2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine
SMILESFc1cc(Cl)ccc1OC(c1ccccc1)C1CNCCO1
InChIInChI=1S/C17H17ClFNO2/c18-13-6-7-15(14(19)10-13)22-17(12-4-2-1-3-5-12)16-11-20-8-9-21-16/h1-7,10,16-17,20H,8-9,11H2
InChIKeyQAVAOALJPCHJRS-UHFFFAOYSA-N
XLogP3.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine?
The IUPAC name of 2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine (CID 68597322) is 2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine?
The canonical SMILES for 2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine is Fc1cc(Cl)ccc1OC(c1ccccc1)C1CNCCO1.
What is the InChIKey of 2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine?
The InChIKey is QAVAOALJPCHJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c18-13-6-7-15(14(19)10-13)22-17(12-4-2-1-3-5-12)16-11-20-8-9-21-16/h1-7,10,16-17,20H,8-9,11H2.
What are the key properties of 2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine?
2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine has a molecular weight of 321.78 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine is sourced from PubChem (CID 68597322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).