(2S,6S)-2-(difluoromethyl)-6-(propan-2-yloxymethyl)morpholine

C9H17F2NO2 — CID 176863497

IUPAC(2S,6S)-2-(difluoromethyl)-6-(propan-2-yloxymethyl)morpholine
SMILESCC(C)OC[C@@H]1CNC[C@@H](C(F)F)O1
InChIInChI=1S/C9H17F2NO2/c1-6(2)13-5-7-3-12-4-8(14-7)9(10)11/h6-9,12H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyWUXHXSPEFSXPRQ-YUMQZZPRSA-N
MW209.24 g/mol
LogP1.03
Rot. Bonds4

About (2S,6S)-2-(difluoromethyl)-6-(propan-2-yloxymethyl)morpholine

(2S,6S)-2-(difluoromethyl)-6-(propan-2-yloxymethyl)morpholine (PubChem CID 176863497) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is (2S,6S)-2-(difluoromethyl)-6-(propan-2-yloxymethyl)morpholine.

Molecular Properties

Compound Name(2S,6S)-2-(difluoromethyl)-6-(propan-2-yloxymethyl)morpholine
PubChem CID176863497
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name(2S,6S)-2-(difluoromethyl)-6-(propan-2-yloxymethyl)morpholine
SMILESCC(C)OC[C@@H]1CNC[C@@H](C(F)F)O1
InChIInChI=1S/C9H17F2NO2/c1-6(2)13-5-7-3-12-4-8(14-7)9(10)11/h6-9,12H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyWUXHXSPEFSXPRQ-YUMQZZPRSA-N
XLogP1.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Methoxymethyl)morpholine
CID 14933202
2-((Propan-2-yloxy)methyl)morpholine
CID 58303653
(2R)-2-(methoxymethyl)morpholine hydrochloride
CID 53338716
(2S)-2-(methoxymethyl)morpholine hydrochloride
CID 53338717
2-Methyl-6-(trifluoromethyl)morpholine
CID 63901303
2-(Methoxymethyl)-6-methylmorpholine
CID 63929596
6-(Methoxymethyl)-2,2-dimethylmorpholine
CID 65102270
2-(Difluoromethyl)morpholine
CID 68846218
(2R,6S)-2-methyl-6-(trifluoromethyl)morpholine hydrochloride
CID 165999831
2,2-Difluoro-6-methylmorpholine hydrochloride
CID 165785453
N-Ethyl-1,4-dioxane-2-methanamine
CID 15422769
(2S)-2-(methoxymethyl)morpholine
CID 10103206

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-(difluoromethyl)-6-(propan-2-yloxymethyl)morpholine?
The IUPAC name of (2S,6S)-2-(difluoromethyl)-6-(propan-2-yloxymethyl)morpholine (CID 176863497) is (2S,6S)-2-(difluoromethyl)-6-(propan-2-yloxymethyl)morpholine.
What is the SMILES notation for (2S,6S)-2-(difluoromethyl)-6-(propan-2-yloxymethyl)morpholine?
The canonical SMILES for (2S,6S)-2-(difluoromethyl)-6-(propan-2-yloxymethyl)morpholine is CC(C)OC[C@@H]1CNC[C@@H](C(F)F)O1.
What is the InChIKey of (2S,6S)-2-(difluoromethyl)-6-(propan-2-yloxymethyl)morpholine?
The InChIKey is WUXHXSPEFSXPRQ-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-6(2)13-5-7-3-12-4-8(14-7)9(10)11/h6-9,12H,3-5H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (2S,6S)-2-(difluoromethyl)-6-(propan-2-yloxymethyl)morpholine?
(2S,6S)-2-(difluoromethyl)-6-(propan-2-yloxymethyl)morpholine has a molecular weight of 209.24 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-(difluoromethyl)-6-(propan-2-yloxymethyl)morpholine is sourced from PubChem (CID 176863497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).