(2S)-4-[2-(2,2-difluoroethoxy)ethyl]-2-thiophen-2-ylmorpholine

C12H17F2NO2S — CID 124621448

IUPAC(2S)-4-[2-(2,2-difluoroethoxy)ethyl]-2-thiophen-2-ylmorpholine
SMILESFC(F)COCCN1CCO[C@H](c2cccs2)C1
InChIInChI=1S/C12H17F2NO2S/c13-12(14)9-16-5-3-15-4-6-17-10(8-15)11-2-1-7-18-11/h1-2,7,10,12H,3-6,8-9H2/t10-/m0/s1
InChIKeyCAIDAGNGFKWWJT-JTQLQIEISA-N
MW277.34 g/mol
LogP2.40
Rot. Bonds6

About (2S)-4-[2-(2,2-difluoroethoxy)ethyl]-2-thiophen-2-ylmorpholine

(2S)-4-[2-(2,2-difluoroethoxy)ethyl]-2-thiophen-2-ylmorpholine (PubChem CID 124621448) has the molecular formula C12H17F2NO2S and a molecular weight of 277.34 g/mol. Its IUPAC name is (2S)-4-[2-(2,2-difluoroethoxy)ethyl]-2-thiophen-2-ylmorpholine.

Molecular Properties

Compound Name(2S)-4-[2-(2,2-difluoroethoxy)ethyl]-2-thiophen-2-ylmorpholine
PubChem CID124621448
Molecular FormulaC12H17F2NO2S
Molecular Weight277.34 g/mol
Exact Mass277.09
IUPAC Name(2S)-4-[2-(2,2-difluoroethoxy)ethyl]-2-thiophen-2-ylmorpholine
SMILESFC(F)COCCN1CCO[C@H](c2cccs2)C1
InChIInChI=1S/C12H17F2NO2S/c13-12(14)9-16-5-3-15-4-6-17-10(8-15)11-2-1-7-18-11/h1-2,7,10,12H,3-6,8-9H2/t10-/m0/s1
InChIKeyCAIDAGNGFKWWJT-JTQLQIEISA-N
XLogP2.40
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Propyl-2-thiophen-2-ylmorpholine
CID 15006486
(2S)-2-thiophen-2-ylmorpholine
CID 42182771
2-(4-Fluorothiophen-2-yl)morpholine
CID 166519247
2-(5-Fluorothiophen-2-yl)morpholine
CID 166519262
2-(3-Fluorothiophen-2-yl)morpholine
CID 166519271
2-(Thiophen-2-yl)morpholine--hydrogen chloride (1/1)
CID 3059154
2-(Thiophen-2-yl)morpholine
CID 3059155
1-Morpholin-4-yl-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 4115294
(2S)-4-(oxetan-3-ylsulfonyl)-2-thiophen-2-ylmorpholine
CID 164640529
3-oxo-3-[2-(thiophen-2-yl)morpholin-4-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 136521671
(2S)-1,1,1-trifluoro-3-[(2R)-2-(thiophen-2-ylmethyl)morpholin-4-yl]propan-2-ol
CID 117871961
1,1,1-Trifluoro-3-[2-(thiophen-2-ylmethyl)morpholin-4-yl]propan-2-ol
CID 117871964

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-(2,2-difluoroethoxy)ethyl]-2-thiophen-2-ylmorpholine?
The IUPAC name of (2S)-4-[2-(2,2-difluoroethoxy)ethyl]-2-thiophen-2-ylmorpholine (CID 124621448) is (2S)-4-[2-(2,2-difluoroethoxy)ethyl]-2-thiophen-2-ylmorpholine.
What is the SMILES notation for (2S)-4-[2-(2,2-difluoroethoxy)ethyl]-2-thiophen-2-ylmorpholine?
The canonical SMILES for (2S)-4-[2-(2,2-difluoroethoxy)ethyl]-2-thiophen-2-ylmorpholine is FC(F)COCCN1CCO[C@H](c2cccs2)C1.
What is the InChIKey of (2S)-4-[2-(2,2-difluoroethoxy)ethyl]-2-thiophen-2-ylmorpholine?
The InChIKey is CAIDAGNGFKWWJT-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17F2NO2S/c13-12(14)9-16-5-3-15-4-6-17-10(8-15)11-2-1-7-18-11/h1-2,7,10,12H,3-6,8-9H2/t10-/m0/s1.
What are the key properties of (2S)-4-[2-(2,2-difluoroethoxy)ethyl]-2-thiophen-2-ylmorpholine?
(2S)-4-[2-(2,2-difluoroethoxy)ethyl]-2-thiophen-2-ylmorpholine has a molecular weight of 277.34 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-(2,2-difluoroethoxy)ethyl]-2-thiophen-2-ylmorpholine is sourced from PubChem (CID 124621448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).