2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonyl fluoride

C7H7F4N3O2S — CID 146094311

IUPAC2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonyl fluoride
SMILESO=S(=O)(F)N1CCn2cc(C(F)(F)F)nc2C1
InChIInChI=1S/C7H7F4N3O2S/c8-7(9,10)5-3-13-1-2-14(17(11,15)16)4-6(13)12-5/h3H,1-2,4H2
InChIKeyIZYVEFBMTSADHF-UHFFFAOYSA-N
MW273.21 g/mol
LogP0.93
Rot. Bonds1

About 2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonyl fluoride

2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonyl fluoride (PubChem CID 146094311) has the molecular formula C7H7F4N3O2S and a molecular weight of 273.21 g/mol. Its IUPAC name is 2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonyl fluoride.

Molecular Properties

Compound Name2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonyl fluoride
PubChem CID146094311
Molecular FormulaC7H7F4N3O2S
Molecular Weight273.21 g/mol
Exact Mass273.02
IUPAC Name2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonyl fluoride
SMILESO=S(=O)(F)N1CCn2cc(C(F)(F)F)nc2C1
InChIInChI=1S/C7H7F4N3O2S/c8-7(9,10)5-3-13-1-2-14(17(11,15)16)4-6(13)12-5/h3H,1-2,4H2
InChIKeyIZYVEFBMTSADHF-UHFFFAOYSA-N
XLogP0.93
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Trifluoromethyl)imidazo[1,2-a]pyrazine
CID 3231306
2-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine
CID 14719928
1,2-Dimethyl-4-(trifluoromethyl)-1h-imidazole
CID 12747526
3-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 55251966
2-(trifluoromethyl)-7-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 162407981
3-Fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 24976337
2-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine hydrochloride
CID 44118283
5-(Fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride
CID 54094555
4-(Fluoromethyl)-2-methylimidazole-1-sulfinyl fluoride
CID 54308287
7-propan-2-yl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 57530998
7-ethyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 58157149
7-Methanidyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium
CID 58778094

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonyl fluoride?
The IUPAC name of 2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonyl fluoride (CID 146094311) is 2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonyl fluoride.
What is the SMILES notation for 2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonyl fluoride?
The canonical SMILES for 2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonyl fluoride is O=S(=O)(F)N1CCn2cc(C(F)(F)F)nc2C1.
What is the InChIKey of 2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonyl fluoride?
The InChIKey is IZYVEFBMTSADHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F4N3O2S/c8-7(9,10)5-3-13-1-2-14(17(11,15)16)4-6(13)12-5/h3H,1-2,4H2.
What are the key properties of 2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonyl fluoride?
2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonyl fluoride has a molecular weight of 273.21 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonyl fluoride is sourced from PubChem (CID 146094311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).