4-(1,1-difluoroethyl)-1-propan-2-yl-2-(trifluoromethyl)imidazole

C9H11F5N2 — CID 90162785

IUPAC4-(1,1-difluoroethyl)-1-propan-2-yl-2-(trifluoromethyl)imidazole
SMILESCC(C)n1cc(C(C)(F)F)nc1C(F)(F)F
InChIInChI=1S/C9H11F5N2/c1-5(2)16-4-6(8(3,10)11)15-7(16)9(12,13)14/h4-5H,1-3H3
InChIKeySRVCQONJJJVYHX-UHFFFAOYSA-N
MW242.19 g/mol
LogP3.59
Rot. Bonds2

About 4-(1,1-difluoroethyl)-1-propan-2-yl-2-(trifluoromethyl)imidazole

4-(1,1-difluoroethyl)-1-propan-2-yl-2-(trifluoromethyl)imidazole (PubChem CID 90162785) has the molecular formula C9H11F5N2 and a molecular weight of 242.19 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-1-propan-2-yl-2-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-1-propan-2-yl-2-(trifluoromethyl)imidazole
PubChem CID90162785
Molecular FormulaC9H11F5N2
Molecular Weight242.19 g/mol
Exact Mass242.08
IUPAC Name4-(1,1-difluoroethyl)-1-propan-2-yl-2-(trifluoromethyl)imidazole
SMILESCC(C)n1cc(C(C)(F)F)nc1C(F)(F)F
InChIInChI=1S/C9H11F5N2/c1-5(2)16-4-6(8(3,10)11)15-7(16)9(12,13)14/h4-5H,1-3H3
InChIKeySRVCQONJJJVYHX-UHFFFAOYSA-N
XLogP3.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-1-propan-2-yl-2-(trifluoromethyl)imidazole?
The IUPAC name of 4-(1,1-difluoroethyl)-1-propan-2-yl-2-(trifluoromethyl)imidazole (CID 90162785) is 4-(1,1-difluoroethyl)-1-propan-2-yl-2-(trifluoromethyl)imidazole.
What is the SMILES notation for 4-(1,1-difluoroethyl)-1-propan-2-yl-2-(trifluoromethyl)imidazole?
The canonical SMILES for 4-(1,1-difluoroethyl)-1-propan-2-yl-2-(trifluoromethyl)imidazole is CC(C)n1cc(C(C)(F)F)nc1C(F)(F)F.
What is the InChIKey of 4-(1,1-difluoroethyl)-1-propan-2-yl-2-(trifluoromethyl)imidazole?
The InChIKey is SRVCQONJJJVYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F5N2/c1-5(2)16-4-6(8(3,10)11)15-7(16)9(12,13)14/h4-5H,1-3H3.
What are the key properties of 4-(1,1-difluoroethyl)-1-propan-2-yl-2-(trifluoromethyl)imidazole?
4-(1,1-difluoroethyl)-1-propan-2-yl-2-(trifluoromethyl)imidazole has a molecular weight of 242.19 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-1-propan-2-yl-2-(trifluoromethyl)imidazole is sourced from PubChem (CID 90162785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).