2-[[2-(trifluoromethylsulfonyl)phenoxy]methyl]morpholine

C12H14F3NO4S — CID 114468909

IUPAC2-[[2-(trifluoromethylsulfonyl)phenoxy]methyl]morpholine
SMILESO=S(=O)(c1ccccc1OCC1CNCCO1)C(F)(F)F
InChIInChI=1S/C12H14F3NO4S/c13-12(14,15)21(17,18)11-4-2-1-3-10(11)20-8-9-7-16-5-6-19-9/h1-4,9,16H,5-8H2
InChIKeyPSYIZNGDRARHRV-UHFFFAOYSA-N
MW325.31 g/mol
LogP1.35
Rot. Bonds4

About 2-[[2-(trifluoromethylsulfonyl)phenoxy]methyl]morpholine

2-[[2-(trifluoromethylsulfonyl)phenoxy]methyl]morpholine (PubChem CID 114468909) has the molecular formula C12H14F3NO4S and a molecular weight of 325.31 g/mol. Its IUPAC name is 2-[[2-(trifluoromethylsulfonyl)phenoxy]methyl]morpholine.

Molecular Properties

Compound Name2-[[2-(trifluoromethylsulfonyl)phenoxy]methyl]morpholine
PubChem CID114468909
Molecular FormulaC12H14F3NO4S
Molecular Weight325.31 g/mol
Exact Mass325.06
IUPAC Name2-[[2-(trifluoromethylsulfonyl)phenoxy]methyl]morpholine
SMILESO=S(=O)(c1ccccc1OCC1CNCCO1)C(F)(F)F
InChIInChI=1S/C12H14F3NO4S/c13-12(14,15)21(17,18)11-4-2-1-3-10(11)20-8-9-7-16-5-6-19-9/h1-4,9,16H,5-8H2
InChIKeyPSYIZNGDRARHRV-UHFFFAOYSA-N
XLogP1.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(morpholin-2-ylmethoxy)-N-propylbenzenesulfonamide
CID 114469155
(2R)-2-[(2-chlorophenoxy)methyl]morpholine
CID 42048764
2-[[(2R)-morpholin-2-yl]methoxy]benzamide
CID 175701608
bis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride
CID 157316678
2-[(2-ethoxyphenoxy)methyl]morpholine;methane
CID 158820908
2-(morpholin-2-ylmethoxy)benzonitrile
CID 64534469
(2S)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine
CID 71752946
(2R)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine;hydrochloride
CID 71752943
2-[(2-pyridin-2-yloxyphenoxy)methyl]morpholine
CID 12919862
2-[[2-(4-phenylbutyl)phenoxy]methyl]morpholine
CID 19424036
morpholin-2-ylmethyl benzoate;hydrochloride
CID 19777235
2-(2,3-dihydro-1H-indol-4-yloxymethyl)morpholine
CID 165348983

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethylsulfonyl)phenoxy]methyl]morpholine?
The IUPAC name of 2-[[2-(trifluoromethylsulfonyl)phenoxy]methyl]morpholine (CID 114468909) is 2-[[2-(trifluoromethylsulfonyl)phenoxy]methyl]morpholine.
What is the SMILES notation for 2-[[2-(trifluoromethylsulfonyl)phenoxy]methyl]morpholine?
The canonical SMILES for 2-[[2-(trifluoromethylsulfonyl)phenoxy]methyl]morpholine is O=S(=O)(c1ccccc1OCC1CNCCO1)C(F)(F)F.
What is the InChIKey of 2-[[2-(trifluoromethylsulfonyl)phenoxy]methyl]morpholine?
The InChIKey is PSYIZNGDRARHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO4S/c13-12(14,15)21(17,18)11-4-2-1-3-10(11)20-8-9-7-16-5-6-19-9/h1-4,9,16H,5-8H2.
What are the key properties of 2-[[2-(trifluoromethylsulfonyl)phenoxy]methyl]morpholine?
2-[[2-(trifluoromethylsulfonyl)phenoxy]methyl]morpholine has a molecular weight of 325.31 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethylsulfonyl)phenoxy]methyl]morpholine is sourced from PubChem (CID 114468909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).