2,2,2-trifluoro-1-(5-quinoxalin-6-ylthiophen-2-yl)ethanone

C14H7F3N2OS — CID 44543405

IUPAC2,2,2-trifluoro-1-(5-quinoxalin-6-ylthiophen-2-yl)ethanone
SMILESO=C(c1ccc(-c2ccc3nccnc3c2)s1)C(F)(F)F
InChIInChI=1S/C14H7F3N2OS/c15-14(16,17)13(20)12-4-3-11(21-12)8-1-2-9-10(7-8)19-6-5-18-9/h1-7H
InChIKeyPHBGFWHJUVWHAA-UHFFFAOYSA-N
MW308.28 g/mol
LogP4.10
Rot. Bonds2

About 2,2,2-trifluoro-1-(5-quinoxalin-6-ylthiophen-2-yl)ethanone

2,2,2-trifluoro-1-(5-quinoxalin-6-ylthiophen-2-yl)ethanone (PubChem CID 44543405) has the molecular formula C14H7F3N2OS and a molecular weight of 308.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(5-quinoxalin-6-ylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(5-quinoxalin-6-ylthiophen-2-yl)ethanone
PubChem CID44543405
Molecular FormulaC14H7F3N2OS
Molecular Weight308.28 g/mol
Exact Mass308.02
IUPAC Name2,2,2-trifluoro-1-(5-quinoxalin-6-ylthiophen-2-yl)ethanone
SMILESO=C(c1ccc(-c2ccc3nccnc3c2)s1)C(F)(F)F
InChIInChI=1S/C14H7F3N2OS/c15-14(16,17)13(20)12-4-3-11(21-12)8-1-2-9-10(7-8)19-6-5-18-9/h1-7H
InChIKeyPHBGFWHJUVWHAA-UHFFFAOYSA-N
XLogP4.10
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-amino-5-(thiophen-2-yl)phenyl]quinoxaline-6-carboxamide
CID 11393847
Thiophene derivative, 3i
CID 24857909
1,2-Dimethyl-5-quinoxalin-6-yl-4-thiophen-3-yl-1,2-dihydro-pyrazol-3-one
CID 16730258
1,2-Dimethyl-5-quinoxalin-6-yl-4-thiophen-2-yl-1,2-dihydro-pyrazol-3-one
CID 16730419
N-(quinolin-8-yl)thiophene-2-carboxamide
CID 683655
N-[(thiophen-2-yl)methyl]quinoxaline-6-carboxamide
CID 736232
1-(4-Fluorophenyl)-2-quinoxalin-2-ylthioethan-1-one
CID 2359893
(2E)-3-(Quinolin-4-YL)-1-(thiophen-2-YL)prop-2-EN-1-one
CID 5739531
(2-fluorophenyl)(5-(quinoxalin-6-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)methanone
CID 17497974
(3-phenyl-5-(quinoxalin-6-yl)-4,5-dihydro-1H-pyrazol-1-yl)(thiophen-2-yl)methanone
CID 17595158
N-(5-fluoroquinolin-8-yl)thiophene-3-carboxamide
CID 138983789
N-quinolin-8-yl-2,4-bis(trifluoromethylsulfanyl)thiophene-3-carboxamide
CID 166442964

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(5-quinoxalin-6-ylthiophen-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(5-quinoxalin-6-ylthiophen-2-yl)ethanone (CID 44543405) is 2,2,2-trifluoro-1-(5-quinoxalin-6-ylthiophen-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(5-quinoxalin-6-ylthiophen-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(5-quinoxalin-6-ylthiophen-2-yl)ethanone is O=C(c1ccc(-c2ccc3nccnc3c2)s1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(5-quinoxalin-6-ylthiophen-2-yl)ethanone?
The InChIKey is PHBGFWHJUVWHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N2OS/c15-14(16,17)13(20)12-4-3-11(21-12)8-1-2-9-10(7-8)19-6-5-18-9/h1-7H.
What are the key properties of 2,2,2-trifluoro-1-(5-quinoxalin-6-ylthiophen-2-yl)ethanone?
2,2,2-trifluoro-1-(5-quinoxalin-6-ylthiophen-2-yl)ethanone has a molecular weight of 308.28 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(5-quinoxalin-6-ylthiophen-2-yl)ethanone is sourced from PubChem (CID 44543405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).