ethane;1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole

C15H23F3N2O — CID 170707642

IUPACethane;1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole
SMILESCC.CC(C)c1nc(C(F)(F)F)cn1C1CC2(COC2)C1
InChIInChI=1S/C13H17F3N2O.C2H6/c1-8(2)11-17-10(13(14,15)16)5-18(11)9-3-12(4-9)6-19-7-12;1-2/h5,8-9H,3-4,6-7H2,1-2H3;1-2H3
InChIKeyAKQSETFZEXSRKS-UHFFFAOYSA-N
MW304.36 g/mol
LogP4.40
Rot. Bonds2

About ethane;1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole

ethane;1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole (PubChem CID 170707642) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is ethane;1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Nameethane;1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole
PubChem CID170707642
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Nameethane;1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole
SMILESCC.CC(C)c1nc(C(F)(F)F)cn1C1CC2(COC2)C1
InChIInChI=1S/C13H17F3N2O.C2H6/c1-8(2)11-17-10(13(14,15)16)5-18(11)9-3-12(4-9)6-19-7-12;1-2/h5,8-9H,3-4,6-7H2,1-2H3;1-2H3
InChIKeyAKQSETFZEXSRKS-UHFFFAOYSA-N
XLogP4.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole?
The IUPAC name of ethane;1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole (CID 170707642) is ethane;1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for ethane;1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole?
The canonical SMILES for ethane;1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole is CC.CC(C)c1nc(C(F)(F)F)cn1C1CC2(COC2)C1.
What is the InChIKey of ethane;1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole?
The InChIKey is AKQSETFZEXSRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O.C2H6/c1-8(2)11-17-10(13(14,15)16)5-18(11)9-3-12(4-9)6-19-7-12;1-2/h5,8-9H,3-4,6-7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole?
ethane;1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole has a molecular weight of 304.36 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 170707642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).