5,5,5-trifluoro-1-(3-propylimidazol-4-yl)pentan-1-ol

C11H17F3N2O — CID 113326790

IUPAC5,5,5-trifluoro-1-(3-propylimidazol-4-yl)pentan-1-ol
SMILESCCCn1cncc1C(O)CCCC(F)(F)F
InChIInChI=1S/C11H17F3N2O/c1-2-6-16-8-15-7-9(16)10(17)4-3-5-11(12,13)14/h7-8,10,17H,2-6H2,1H3
InChIKeyNTUFZLRJDNIHPQ-UHFFFAOYSA-N
MW250.26 g/mol
LogP3.06
Rot. Bonds6

About 5,5,5-trifluoro-1-(3-propylimidazol-4-yl)pentan-1-ol

5,5,5-trifluoro-1-(3-propylimidazol-4-yl)pentan-1-ol (PubChem CID 113326790) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(3-propylimidazol-4-yl)pentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(3-propylimidazol-4-yl)pentan-1-ol
PubChem CID113326790
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name5,5,5-trifluoro-1-(3-propylimidazol-4-yl)pentan-1-ol
SMILESCCCn1cncc1C(O)CCCC(F)(F)F
InChIInChI=1S/C11H17F3N2O/c1-2-6-16-8-15-7-9(16)10(17)4-3-5-11(12,13)14/h7-8,10,17H,2-6H2,1H3
InChIKeyNTUFZLRJDNIHPQ-UHFFFAOYSA-N
XLogP3.06
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,5,5-trifluoro-1-(3-propylimidazol-4-yl)pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(3-propylimidazol-4-yl)pentan-1-ol?
The IUPAC name of 5,5,5-trifluoro-1-(3-propylimidazol-4-yl)pentan-1-ol (CID 113326790) is 5,5,5-trifluoro-1-(3-propylimidazol-4-yl)pentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-(3-propylimidazol-4-yl)pentan-1-ol?
The canonical SMILES for 5,5,5-trifluoro-1-(3-propylimidazol-4-yl)pentan-1-ol is CCCn1cncc1C(O)CCCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-1-(3-propylimidazol-4-yl)pentan-1-ol?
The InChIKey is NTUFZLRJDNIHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-2-6-16-8-15-7-9(16)10(17)4-3-5-11(12,13)14/h7-8,10,17H,2-6H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(3-propylimidazol-4-yl)pentan-1-ol?
5,5,5-trifluoro-1-(3-propylimidazol-4-yl)pentan-1-ol has a molecular weight of 250.26 g/mol, XLogP of 3.06, 6 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-propylimidazol-4-yl)pentan-1-ol is sourced from PubChem (CID 113326790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).