5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole

C6H3F7N2 — CID 576151

IUPAC5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole
SMILESFC(F)(F)C(F)(c1cnc[nH]1)C(F)(F)F
InChIInChI=1S/C6H3F7N2/c7-4(5(8,9)10,6(11,12)13)3-1-14-2-15-3/h1-2H,(H,14,15)
InChIKeyWHCXBYPPHAFLJW-UHFFFAOYSA-N
MW236.09 g/mol
LogP2.70
Rot. Bonds1

About 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole

5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole (PubChem CID 576151) has the molecular formula C6H3F7N2 and a molecular weight of 236.09 g/mol. Its IUPAC name is 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole
PubChem CID576151
Molecular FormulaC6H3F7N2
Molecular Weight236.09 g/mol
Exact Mass236.02
IUPAC Name5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole
SMILESFC(F)(F)C(F)(c1cnc[nH]1)C(F)(F)F
InChIInChI=1S/C6H3F7N2/c7-4(5(8,9)10,6(11,12)13)3-1-14-2-15-3/h1-2H,(H,14,15)
InChIKeyWHCXBYPPHAFLJW-UHFFFAOYSA-N
XLogP2.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.09
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Histamine Hydrochloride
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2-(1H-Imidazol-5-yl)ethan-1-aminium
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N(alpha)-methylhistamine
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2-(1h-Imidazol-4-yl)propan-1-amine
CID 565544
1H-Imidazole-5-propanamine
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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole?
The IUPAC name of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole (CID 576151) is 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole.
What is the SMILES notation for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole?
The canonical SMILES for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole is FC(F)(F)C(F)(c1cnc[nH]1)C(F)(F)F.
What is the InChIKey of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole?
The InChIKey is WHCXBYPPHAFLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F7N2/c7-4(5(8,9)10,6(11,12)13)3-1-14-2-15-3/h1-2H,(H,14,15).
What are the key properties of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole?
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole has a molecular weight of 236.09 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole is sourced from PubChem (CID 576151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).