2-ethoxy-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-benzimidazole

C12H9F7N2O — CID 141365235

IUPAC2-ethoxy-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-benzimidazole
SMILESCCOc1nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2[nH]1
InChIInChI=1S/C12H9F7N2O/c1-2-22-9-20-7-4-3-6(5-8(7)21-9)10(13,11(14,15)16)12(17,18)19/h3-5H,2H2,1H3,(H,20,21)
InChIKeyCROGIMSCJGUPMD-UHFFFAOYSA-N
MW330.20 g/mol
LogP4.25
Rot. Bonds3

About 2-ethoxy-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-benzimidazole

2-ethoxy-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-benzimidazole (PubChem CID 141365235) has the molecular formula C12H9F7N2O and a molecular weight of 330.20 g/mol. Its IUPAC name is 2-ethoxy-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-ethoxy-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-benzimidazole
PubChem CID141365235
Molecular FormulaC12H9F7N2O
Molecular Weight330.20 g/mol
Exact Mass330.06
IUPAC Name2-ethoxy-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-benzimidazole
SMILESCCOc1nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2[nH]1
InChIInChI=1S/C12H9F7N2O/c1-2-22-9-20-7-4-3-6(5-8(7)21-9)10(13,11(14,15)16)12(17,18)19/h3-5H,2H2,1H3,(H,20,21)
InChIKeyCROGIMSCJGUPMD-UHFFFAOYSA-N
XLogP4.25
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethoxymethyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455926
2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-ol
CID 81455714
2-(2-ethylbutoxy)-3H-benzimidazol-5-amine
CID 114208249
2-fluoro-6-(trifluoromethyl)-1H-benzimidazole
CID 131028936
3-(2-ethoxy-3H-benzimidazol-5-yl)-5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazole
CID 59214359
[4-(2-ethoxy-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 136538502
N-ethyl-2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine
CID 81456799
6-chloro-2-ethoxy-3H-quinazolin-4-one
CID 175805927
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone
CID 67378249
5-chloro-2-ethoxy-6-(2-phenylethynyl)-1H-benzimidazole
CID 58387155
6-[cyclopropyl(difluoro)methyl]-2-methyl-1H-benzimidazole
CID 116841727
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
CID 604588

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-benzimidazole?
The IUPAC name of 2-ethoxy-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-benzimidazole (CID 141365235) is 2-ethoxy-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-benzimidazole.
What is the SMILES notation for 2-ethoxy-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-benzimidazole?
The canonical SMILES for 2-ethoxy-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-benzimidazole is CCOc1nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2[nH]1.
What is the InChIKey of 2-ethoxy-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-benzimidazole?
The InChIKey is CROGIMSCJGUPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F7N2O/c1-2-22-9-20-7-4-3-6(5-8(7)21-9)10(13,11(14,15)16)12(17,18)19/h3-5H,2H2,1H3,(H,20,21).
What are the key properties of 2-ethoxy-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-benzimidazole?
2-ethoxy-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-benzimidazole has a molecular weight of 330.20 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-benzimidazole is sourced from PubChem (CID 141365235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).