2-[(S)-(2,6-difluorophenoxy)-phenylmethyl]morpholine

C17H17F2NO2 — CID 68542729

IUPAC2-[(S)-(2,6-difluorophenoxy)-phenylmethyl]morpholine
SMILESFc1cccc(F)c1O[C@@H](c1ccccc1)C1CNCCO1
InChIInChI=1S/C17H17F2NO2/c18-13-7-4-8-14(19)17(13)22-16(12-5-2-1-3-6-12)15-11-20-9-10-21-15/h1-8,15-16,20H,9-11H2/t15?,16-/m0/s1
InChIKeyAKCWJIPYUJCKIS-LYKKTTPLSA-N
MW305.32 g/mol
LogP3.07
Rot. Bonds4

About 2-[(S)-(2,6-difluorophenoxy)-phenylmethyl]morpholine

2-[(S)-(2,6-difluorophenoxy)-phenylmethyl]morpholine (PubChem CID 68542729) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is 2-[(S)-(2,6-difluorophenoxy)-phenylmethyl]morpholine.

Molecular Properties

Compound Name2-[(S)-(2,6-difluorophenoxy)-phenylmethyl]morpholine
PubChem CID68542729
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name2-[(S)-(2,6-difluorophenoxy)-phenylmethyl]morpholine
SMILESFc1cccc(F)c1O[C@@H](c1ccccc1)C1CNCCO1
InChIInChI=1S/C17H17F2NO2/c18-13-7-4-8-14(19)17(13)22-16(12-5-2-1-3-6-12)15-11-20-9-10-21-15/h1-8,15-16,20H,9-11H2/t15?,16-/m0/s1
InChIKeyAKCWJIPYUJCKIS-LYKKTTPLSA-N
XLogP3.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethoxy-6-fluorophenoxy)-phenylmethyl]morpholine
CID 56678217
2-[(2-ethoxy-3-fluorophenoxy)-phenylmethyl]morpholine
CID 68542255
2-[(2,6-difluorophenoxy)-pyridin-2-ylmethyl]morpholine
CID 56667227
(2S)-2-[phenoxy(phenyl)methyl]morpholine
CID 68539153
(2S)-2-[(2-chloro-6-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine
CID 68597015
2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine
CID 68597322
(2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine
CID 59166996
(2S)-2-[(S)-(2-chloro-3,5-difluorophenoxy)-phenylmethyl]morpholine
CID 68598775
2-[(4-methylphenoxy)-phenylmethyl]morpholine
CID 3029454
(2R)-2-[(S)-(2-methylphenoxy)-phenylmethyl]morpholine
CID 45101528
2-[(S)-phenyl-[2-(trifluoromethoxy)phenoxy]methyl]morpholine
CID 68542186
(2S)-2-[(S)-(3-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine
CID 68600973

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-(2,6-difluorophenoxy)-phenylmethyl]morpholine?
The IUPAC name of 2-[(S)-(2,6-difluorophenoxy)-phenylmethyl]morpholine (CID 68542729) is 2-[(S)-(2,6-difluorophenoxy)-phenylmethyl]morpholine.
What is the SMILES notation for 2-[(S)-(2,6-difluorophenoxy)-phenylmethyl]morpholine?
The canonical SMILES for 2-[(S)-(2,6-difluorophenoxy)-phenylmethyl]morpholine is Fc1cccc(F)c1O[C@@H](c1ccccc1)C1CNCCO1.
What is the InChIKey of 2-[(S)-(2,6-difluorophenoxy)-phenylmethyl]morpholine?
The InChIKey is AKCWJIPYUJCKIS-LYKKTTPLSA-N. The full InChI is InChI=1S/C17H17F2NO2/c18-13-7-4-8-14(19)17(13)22-16(12-5-2-1-3-6-12)15-11-20-9-10-21-15/h1-8,15-16,20H,9-11H2/t15?,16-/m0/s1.
What are the key properties of 2-[(S)-(2,6-difluorophenoxy)-phenylmethyl]morpholine?
2-[(S)-(2,6-difluorophenoxy)-phenylmethyl]morpholine has a molecular weight of 305.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-(2,6-difluorophenoxy)-phenylmethyl]morpholine is sourced from PubChem (CID 68542729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).