(2S,6S)-4-[(2-chloro-6-fluorophenyl)methyl]-2,6-dimethylmorpholine

C13H17ClFNO — CID 757782

IUPAC(2S,6S)-4-[(2-chloro-6-fluorophenyl)methyl]-2,6-dimethylmorpholine
SMILESC[C@H]1CN(Cc2c(F)cccc2Cl)C[C@H](C)O1
InChIInChI=1S/C13H17ClFNO/c1-9-6-16(7-10(2)17-9)8-11-12(14)4-3-5-13(11)15/h3-5,9-10H,6-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyJNAPOEIPPBGUQB-UWVGGRQHSA-N
MW257.74 g/mol
LogP3.09
Rot. Bonds2

About (2S,6S)-4-[(2-chloro-6-fluorophenyl)methyl]-2,6-dimethylmorpholine

(2S,6S)-4-[(2-chloro-6-fluorophenyl)methyl]-2,6-dimethylmorpholine (PubChem CID 757782) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is (2S,6S)-4-[(2-chloro-6-fluorophenyl)methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6S)-4-[(2-chloro-6-fluorophenyl)methyl]-2,6-dimethylmorpholine
PubChem CID757782
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name(2S,6S)-4-[(2-chloro-6-fluorophenyl)methyl]-2,6-dimethylmorpholine
SMILESC[C@H]1CN(Cc2c(F)cccc2Cl)C[C@H](C)O1
InChIInChI=1S/C13H17ClFNO/c1-9-6-16(7-10(2)17-9)8-11-12(14)4-3-5-13(11)15/h3-5,9-10H,6-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyJNAPOEIPPBGUQB-UWVGGRQHSA-N
XLogP3.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-3-(chloromethyl)azetidine
CID 130531122
7-[(2-chloro-6-fluorophenyl)methyl]-8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3-methylpurine-2,6-dione
CID 29035256
(2R,6S)-4-[(2-chloro-6-fluorophenyl)methyl]-2,6-dimethylmorpholin-4-ium
CID 2059242
1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905861
1-[(2-chloro-6-fluorophenyl)methyl]-1,5-diazocane
CID 95049087
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 3148930
1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol
CID 24905047
1-[[1-[(2-chloro-6-fluorophenyl)methyl]azetidin-3-yl]methyl]-2-ethylimidazole
CID 163346161
[(3S,4R)-1-[(2-chloro-6-fluorophenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 133122079
1-[(2-chloro-6-fluorophenyl)methyl]-3-propyl-1,4-diazepane
CID 64870681
(4aS,7aS)-6-[(2-chloro-6-fluorophenyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 113346138
2-[(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 92770253

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-[(2-chloro-6-fluorophenyl)methyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6S)-4-[(2-chloro-6-fluorophenyl)methyl]-2,6-dimethylmorpholine (CID 757782) is (2S,6S)-4-[(2-chloro-6-fluorophenyl)methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6S)-4-[(2-chloro-6-fluorophenyl)methyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6S)-4-[(2-chloro-6-fluorophenyl)methyl]-2,6-dimethylmorpholine is C[C@H]1CN(Cc2c(F)cccc2Cl)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-4-[(2-chloro-6-fluorophenyl)methyl]-2,6-dimethylmorpholine?
The InChIKey is JNAPOEIPPBGUQB-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-9-6-16(7-10(2)17-9)8-11-12(14)4-3-5-13(11)15/h3-5,9-10H,6-8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (2S,6S)-4-[(2-chloro-6-fluorophenyl)methyl]-2,6-dimethylmorpholine?
(2S,6S)-4-[(2-chloro-6-fluorophenyl)methyl]-2,6-dimethylmorpholine has a molecular weight of 257.74 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-[(2-chloro-6-fluorophenyl)methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 757782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).