(2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine

C17H17F2NO2 — CID 59166996

IUPAC(2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine
SMILESFc1ccc(F)c(O[C@@H](c2ccccc2)[C@@H]2CNCCO2)c1
InChIInChI=1S/C17H17F2NO2/c18-13-6-7-14(19)15(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/t16-,17-/m0/s1
InChIKeyZRYYUNQZCRTWPF-IRXDYDNUSA-N
MW305.32 g/mol
LogP3.07
Rot. Bonds4

About (2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine

(2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine (PubChem CID 59166996) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is (2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine
PubChem CID59166996
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name(2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine
SMILESFc1ccc(F)c(O[C@@H](c2ccccc2)[C@@H]2CNCCO2)c1
InChIInChI=1S/C17H17F2NO2/c18-13-6-7-14(19)15(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/t16-,17-/m0/s1
InChIKeyZRYYUNQZCRTWPF-IRXDYDNUSA-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-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine
CID 68597322
(2S)-2-[(4-fluoro-2-methylsulfanylphenoxy)-phenylmethyl]morpholine
CID 68542716
(2S)-2-[(S)-(2-chloro-3,5-difluorophenoxy)-phenylmethyl]morpholine
CID 68598775
(2S)-2-[(2-ethoxy-5-fluorophenoxy)-phenylmethyl]morpholine
CID 59166814
2-[(S)-(2-chloro-4-fluorophenoxy)-(4-chlorophenyl)methyl]morpholine
CID 91482587
(2R)-2-[(S)-(2-bromophenoxy)-(4-fluorophenyl)methyl]morpholine
CID 68546079
(2S)-2-[(S)-(4-chloro-2-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine
CID 68599403
2-[(S)-(2,6-difluorophenoxy)-phenylmethyl]morpholine
CID 68542729
(2R)-2-[(S)-(2-methylphenoxy)-phenylmethyl]morpholine
CID 45101528
2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-fluorophenyl)methyl]morpholine
CID 90905333
2-[(S)-phenyl-[2-(trifluoromethoxy)phenoxy]methyl]morpholine
CID 68542186
2-[(S)-(3-chlorophenyl)-(4-fluoro-2-methoxyphenoxy)methyl]morpholine
CID 91423656

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine?
The IUPAC name of (2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine (CID 59166996) is (2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine.
What is the SMILES notation for (2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine?
The canonical SMILES for (2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine is Fc1ccc(F)c(O[C@@H](c2ccccc2)[C@@H]2CNCCO2)c1.
What is the InChIKey of (2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine?
The InChIKey is ZRYYUNQZCRTWPF-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H17F2NO2/c18-13-6-7-14(19)15(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/t16-,17-/m0/s1.
What are the key properties of (2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine?
(2S)-2-[(S)-(2,5-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 (2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine is sourced from PubChem (CID 59166996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).