[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol

C14H19F3N2O — CID 170316945

IUPAC[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol
SMILESCn1cc(C(F)(F)F)nc1C12CCC(CO)(CC1)CC2
InChIInChI=1S/C14H19F3N2O/c1-19-8-10(14(15,16)17)18-11(19)13-5-2-12(9-20,3-6-13)4-7-13/h8,20H,2-7,9H2,1H3
InChIKeyOCXVMIRAOFJWCG-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.02
Rot. Bonds2

About [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol

[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol (PubChem CID 170316945) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol.

Molecular Properties

Compound Name[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol
PubChem CID170316945
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol
SMILESCn1cc(C(F)(F)F)nc1C12CCC(CO)(CC1)CC2
InChIInChI=1S/C14H19F3N2O/c1-19-8-10(14(15,16)17)18-11(19)13-5-2-12(9-20,3-6-13)4-7-13/h8,20H,2-7,9H2,1H3
InChIKeyOCXVMIRAOFJWCG-UHFFFAOYSA-N
XLogP3.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol?
The IUPAC name of [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol (CID 170316945) is [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol.
What is the SMILES notation for [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol?
The canonical SMILES for [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol is Cn1cc(C(F)(F)F)nc1C12CCC(CO)(CC1)CC2.
What is the InChIKey of [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol?
The InChIKey is OCXVMIRAOFJWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-19-8-10(14(15,16)17)18-11(19)13-5-2-12(9-20,3-6-13)4-7-13/h8,20H,2-7,9H2,1H3.
What are the key properties of [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol?
[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol has a molecular weight of 288.31 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol is sourced from PubChem (CID 170316945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).