2,2-difluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone

C11H12F2N2O2S — CID 103514904

IUPAC2,2-difluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(c1ccsc1)N1CCN(C(=O)C(F)F)CC1
InChIInChI=1S/C11H12F2N2O2S/c12-9(13)11(17)15-4-2-14(3-5-15)10(16)8-1-6-18-7-8/h1,6-7,9H,2-5H2
InChIKeyVUXWPOQALSUXCD-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.30
Rot. Bonds2

About 2,2-difluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone

2,2-difluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 103514904) has the molecular formula C11H12F2N2O2S and a molecular weight of 274.29 g/mol. Its IUPAC name is 2,2-difluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID103514904
Molecular FormulaC11H12F2N2O2S
Molecular Weight274.29 g/mol
Exact Mass274.06
IUPAC Name2,2-difluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(c1ccsc1)N1CCN(C(=O)C(F)F)CC1
InChIInChI=1S/C11H12F2N2O2S/c12-9(13)11(17)15-4-2-14(3-5-15)10(16)8-1-6-18-7-8/h1,6-7,9H,2-5H2
InChIKeyVUXWPOQALSUXCD-UHFFFAOYSA-N
XLogP1.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119298879
(2R)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119298897
(4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 36507181
2-(aminomethyl)-3-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one
CID 65227352
2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]pentan-1-one
CID 60962811
2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 54873740
(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone
CID 110695891
2-amino-3-phenyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119298888
(2R)-2-amino-4-methylsulfanyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one
CID 104907865
2-methyl-3-(methylamino)-1-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119738850
3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one
CID 54873741
[4-(2-chloroethyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 63395349

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2,2-difluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone (CID 103514904) is 2,2-difluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2,2-difluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone is O=C(c1ccsc1)N1CCN(C(=O)C(F)F)CC1.
What is the InChIKey of 2,2-difluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is VUXWPOQALSUXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2S/c12-9(13)11(17)15-4-2-14(3-5-15)10(16)8-1-6-18-7-8/h1,6-7,9H,2-5H2.
What are the key properties of 2,2-difluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone?
2,2-difluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 274.29 g/mol, XLogP of 1.30, 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-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 103514904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).