5-(1,1-difluoro-2-methylpropyl)-1H-imidazole

C7H10F2N2 — CID 166858374

IUPAC5-(1,1-difluoro-2-methylpropyl)-1H-imidazole
SMILESCC(C)C(F)(F)c1cnc[nH]1
InChIInChI=1S/C7H10F2N2/c1-5(2)7(8,9)6-3-10-4-11-6/h3-5H,1-2H3,(H,10,11)
InChIKeyOWFPNFYPTIDRHK-UHFFFAOYSA-N
MW160.17 g/mol
LogP2.16
Rot. Bonds2

About 5-(1,1-difluoro-2-methylpropyl)-1H-imidazole

5-(1,1-difluoro-2-methylpropyl)-1H-imidazole (PubChem CID 166858374) has the molecular formula C7H10F2N2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 5-(1,1-difluoro-2-methylpropyl)-1H-imidazole.

Molecular Properties

Compound Name5-(1,1-difluoro-2-methylpropyl)-1H-imidazole
PubChem CID166858374
Molecular FormulaC7H10F2N2
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name5-(1,1-difluoro-2-methylpropyl)-1H-imidazole
SMILESCC(C)C(F)(F)c1cnc[nH]1
InChIInChI=1S/C7H10F2N2/c1-5(2)7(8,9)6-3-10-4-11-6/h3-5H,1-2H3,(H,10,11)
InChIKeyOWFPNFYPTIDRHK-UHFFFAOYSA-N
XLogP2.16
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoro-2-methylpropyl)-1H-imidazole?
The IUPAC name of 5-(1,1-difluoro-2-methylpropyl)-1H-imidazole (CID 166858374) is 5-(1,1-difluoro-2-methylpropyl)-1H-imidazole.
What is the SMILES notation for 5-(1,1-difluoro-2-methylpropyl)-1H-imidazole?
The canonical SMILES for 5-(1,1-difluoro-2-methylpropyl)-1H-imidazole is CC(C)C(F)(F)c1cnc[nH]1.
What is the InChIKey of 5-(1,1-difluoro-2-methylpropyl)-1H-imidazole?
The InChIKey is OWFPNFYPTIDRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2/c1-5(2)7(8,9)6-3-10-4-11-6/h3-5H,1-2H3,(H,10,11).
What are the key properties of 5-(1,1-difluoro-2-methylpropyl)-1H-imidazole?
5-(1,1-difluoro-2-methylpropyl)-1H-imidazole has a molecular weight of 160.17 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoro-2-methylpropyl)-1H-imidazole is sourced from PubChem (CID 166858374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).