5,5,5-trifluoro-1-(3-propan-2-ylimidazol-4-yl)pentan-1-ol

C11H17F3N2O — CID 113326791

IUPAC5,5,5-trifluoro-1-(3-propan-2-ylimidazol-4-yl)pentan-1-ol
SMILESCC(C)n1cncc1C(O)CCCC(F)(F)F
InChIInChI=1S/C11H17F3N2O/c1-8(2)16-7-15-6-9(16)10(17)4-3-5-11(12,13)14/h6-8,10,17H,3-5H2,1-2H3
InChIKeyXDMUZNFMWNPNRZ-UHFFFAOYSA-N
MW250.26 g/mol
LogP3.23
Rot. Bonds5

About 5,5,5-trifluoro-1-(3-propan-2-ylimidazol-4-yl)pentan-1-ol

5,5,5-trifluoro-1-(3-propan-2-ylimidazol-4-yl)pentan-1-ol (PubChem CID 113326791) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(3-propan-2-ylimidazol-4-yl)pentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(3-propan-2-ylimidazol-4-yl)pentan-1-ol
PubChem CID113326791
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name5,5,5-trifluoro-1-(3-propan-2-ylimidazol-4-yl)pentan-1-ol
SMILESCC(C)n1cncc1C(O)CCCC(F)(F)F
InChIInChI=1S/C11H17F3N2O/c1-8(2)16-7-15-6-9(16)10(17)4-3-5-11(12,13)14/h6-8,10,17H,3-5H2,1-2H3
InChIKeyXDMUZNFMWNPNRZ-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(3-propan-2-ylimidazol-4-yl)pentan-1-ol?
The IUPAC name of 5,5,5-trifluoro-1-(3-propan-2-ylimidazol-4-yl)pentan-1-ol (CID 113326791) is 5,5,5-trifluoro-1-(3-propan-2-ylimidazol-4-yl)pentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-(3-propan-2-ylimidazol-4-yl)pentan-1-ol?
The canonical SMILES for 5,5,5-trifluoro-1-(3-propan-2-ylimidazol-4-yl)pentan-1-ol is CC(C)n1cncc1C(O)CCCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-1-(3-propan-2-ylimidazol-4-yl)pentan-1-ol?
The InChIKey is XDMUZNFMWNPNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-8(2)16-7-15-6-9(16)10(17)4-3-5-11(12,13)14/h6-8,10,17H,3-5H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-1-(3-propan-2-ylimidazol-4-yl)pentan-1-ol?
5,5,5-trifluoro-1-(3-propan-2-ylimidazol-4-yl)pentan-1-ol has a molecular weight of 250.26 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(3-propan-2-ylimidazol-4-yl)pentan-1-ol is sourced from PubChem (CID 113326791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).