2-[2-(4,4-difluorobut-3-enylsulfonyl)propyl]-1H-imidazole

C10H14F2N2O2S — CID 67757666

IUPAC2-[2-(4,4-difluorobut-3-enylsulfonyl)propyl]-1H-imidazole
SMILESCC(Cc1ncc[nH]1)S(=O)(=O)CCC=C(F)F
InChIInChI=1S/C10H14F2N2O2S/c1-8(7-10-13-4-5-14-10)17(15,16)6-2-3-9(11)12/h3-5,8H,2,6-7H2,1H3,(H,13,14)
InChIKeyGELWMCQEGAREAA-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.93
Rot. Bonds6

About 2-[2-(4,4-difluorobut-3-enylsulfonyl)propyl]-1H-imidazole

2-[2-(4,4-difluorobut-3-enylsulfonyl)propyl]-1H-imidazole (PubChem CID 67757666) has the molecular formula C10H14F2N2O2S and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-[2-(4,4-difluorobut-3-enylsulfonyl)propyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-(4,4-difluorobut-3-enylsulfonyl)propyl]-1H-imidazole
PubChem CID67757666
Molecular FormulaC10H14F2N2O2S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC Name2-[2-(4,4-difluorobut-3-enylsulfonyl)propyl]-1H-imidazole
SMILESCC(Cc1ncc[nH]1)S(=O)(=O)CCC=C(F)F
InChIInChI=1S/C10H14F2N2O2S/c1-8(7-10-13-4-5-14-10)17(15,16)6-2-3-9(11)12/h3-5,8H,2,6-7H2,1H3,(H,13,14)
InChIKeyGELWMCQEGAREAA-UHFFFAOYSA-N
XLogP1.93
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Butyl methyl imidazolium triflate
CID 22027143
Ethylmethylimidazolium bis(perfluoroethylsulfonyl) amide
CID 87392427
2-(4,4-difluorobut-3-enylsulfonyl)-1H-imidazole
CID 21850600
Ethyl methyl imidazolium trifluoromethanesulfonate
CID 22242408
2-ethyl-3-methyl-1H-imidazol-3-ium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 23144966
1,1,1-trifluoro-N-[2-(1H-imidazol-2-yl)-2-sulfanylethyl]methanesulfonamide
CID 57194243
1,1,1-trifluoro-N-[4-(1H-imidazol-2-yl)-4-sulfanylbutyl]methanesulfonamide
CID 57261786
1,1,1-trifluoro-N-[3-(1H-imidazol-2-yl)-3-sulfanylpropyl]methanesulfonamide
CID 57295475
2-propyl-1H-imidazole;trifluoromethanesulfonamide
CID 67058160
2-[2-(4,4-difluorobut-3-enylsulfanyl)propyl]-1H-imidazole
CID 67757800
2-ethyl-1H-imidazole;trifluoromethanesulfonic acid
CID 86082098
2-propyl-1H-imidazole;trifluoromethanesulfonic acid
CID 86082103

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,4-difluorobut-3-enylsulfonyl)propyl]-1H-imidazole?
The IUPAC name of 2-[2-(4,4-difluorobut-3-enylsulfonyl)propyl]-1H-imidazole (CID 67757666) is 2-[2-(4,4-difluorobut-3-enylsulfonyl)propyl]-1H-imidazole.
What is the SMILES notation for 2-[2-(4,4-difluorobut-3-enylsulfonyl)propyl]-1H-imidazole?
The canonical SMILES for 2-[2-(4,4-difluorobut-3-enylsulfonyl)propyl]-1H-imidazole is CC(Cc1ncc[nH]1)S(=O)(=O)CCC=C(F)F.
What is the InChIKey of 2-[2-(4,4-difluorobut-3-enylsulfonyl)propyl]-1H-imidazole?
The InChIKey is GELWMCQEGAREAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S/c1-8(7-10-13-4-5-14-10)17(15,16)6-2-3-9(11)12/h3-5,8H,2,6-7H2,1H3,(H,13,14).
What are the key properties of 2-[2-(4,4-difluorobut-3-enylsulfonyl)propyl]-1H-imidazole?
2-[2-(4,4-difluorobut-3-enylsulfonyl)propyl]-1H-imidazole has a molecular weight of 264.30 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,4-difluorobut-3-enylsulfonyl)propyl]-1H-imidazole is sourced from PubChem (CID 67757666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).