2,2-difluoro-1-morpholin-4-yl-2-thiophen-2-ylethanone

C10H11F2NO2S — CID 134861849

IUPAC2,2-difluoro-1-morpholin-4-yl-2-thiophen-2-ylethanone
SMILESO=C(N1CCOCC1)C(F)(F)c1cccs1
InChIInChI=1S/C10H11F2NO2S/c11-10(12,8-2-1-7-16-8)9(14)13-3-5-15-6-4-13/h1-2,7H,3-6H2
InChIKeyBYSAJZKFTJGJCI-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.70
Rot. Bonds2

About 2,2-difluoro-1-morpholin-4-yl-2-thiophen-2-ylethanone

2,2-difluoro-1-morpholin-4-yl-2-thiophen-2-ylethanone (PubChem CID 134861849) has the molecular formula C10H11F2NO2S and a molecular weight of 247.27 g/mol. Its IUPAC name is 2,2-difluoro-1-morpholin-4-yl-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name2,2-difluoro-1-morpholin-4-yl-2-thiophen-2-ylethanone
PubChem CID134861849
Molecular FormulaC10H11F2NO2S
Molecular Weight247.27 g/mol
Exact Mass247.05
IUPAC Name2,2-difluoro-1-morpholin-4-yl-2-thiophen-2-ylethanone
SMILESO=C(N1CCOCC1)C(F)(F)c1cccs1
InChIInChI=1S/C10H11F2NO2S/c11-10(12,8-2-1-7-16-8)9(14)13-3-5-15-6-4-13/h1-2,7H,3-6H2
InChIKeyBYSAJZKFTJGJCI-UHFFFAOYSA-N
XLogP1.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophene-2-carboxylic acid, morpholide
CID 531921
Morpholine, 4-(2-thienylacetyl)-
CID 531781
N-[2-(morpholin-4-yl)ethyl]-2-(thiophen-2-yl)acetamide
CID 670829
Ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate
CID 762661
1-[3-(Hydroxymethyl)morpholin-4-yl]-2-(thiophen-2-yl)ethan-1-one
CID 71785819
N-(tetrahydro-2H-pyran-4-yl)-2-(thiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71796112
1-[3-(2-Methylpropyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 72042474
N-[3-(morpholin-4-yl)propyl]-2-(thiophen-2-yl)acetamide
CID 2582267
2,2-Difluoro-1-morpholin-4-yl-4-thiophen-2-ylbut-3-yn-1-one
CID 164668537
1-(2-Methylpiperidin-1-yl)-2-thiophen-2-ylethanone
CID 2891465
N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)-2-(thiophen-2-yl)acetamide
CID 16895530
1-(1-Oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-(thiophen-2-yl)ethanone
CID 56764618

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-morpholin-4-yl-2-thiophen-2-ylethanone?
The IUPAC name of 2,2-difluoro-1-morpholin-4-yl-2-thiophen-2-ylethanone (CID 134861849) is 2,2-difluoro-1-morpholin-4-yl-2-thiophen-2-ylethanone.
What is the SMILES notation for 2,2-difluoro-1-morpholin-4-yl-2-thiophen-2-ylethanone?
The canonical SMILES for 2,2-difluoro-1-morpholin-4-yl-2-thiophen-2-ylethanone is O=C(N1CCOCC1)C(F)(F)c1cccs1.
What is the InChIKey of 2,2-difluoro-1-morpholin-4-yl-2-thiophen-2-ylethanone?
The InChIKey is BYSAJZKFTJGJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2S/c11-10(12,8-2-1-7-16-8)9(14)13-3-5-15-6-4-13/h1-2,7H,3-6H2.
What are the key properties of 2,2-difluoro-1-morpholin-4-yl-2-thiophen-2-ylethanone?
2,2-difluoro-1-morpholin-4-yl-2-thiophen-2-ylethanone has a molecular weight of 247.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-morpholin-4-yl-2-thiophen-2-ylethanone is sourced from PubChem (CID 134861849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).