1-[5-(1,1-difluorobut-3-enyl)-1H-imidazol-2-yl]propan-1-ol

C10H14F2N2O — CID 123305415

IUPAC1-[5-(1,1-difluorobut-3-enyl)-1H-imidazol-2-yl]propan-1-ol
SMILESC=CCC(F)(F)c1cnc(C(O)CC)[nH]1
InChIInChI=1S/C10H14F2N2O/c1-3-5-10(11,12)8-6-13-9(14-8)7(15)4-2/h3,6-7,15H,1,4-5H2,2H3,(H,13,14)
InChIKeySXAOHTVFZMKHGL-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.52
Rot. Bonds5

About 1-[5-(1,1-difluorobut-3-enyl)-1H-imidazol-2-yl]propan-1-ol

1-[5-(1,1-difluorobut-3-enyl)-1H-imidazol-2-yl]propan-1-ol (PubChem CID 123305415) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 1-[5-(1,1-difluorobut-3-enyl)-1H-imidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(1,1-difluorobut-3-enyl)-1H-imidazol-2-yl]propan-1-ol
PubChem CID123305415
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name1-[5-(1,1-difluorobut-3-enyl)-1H-imidazol-2-yl]propan-1-ol
SMILESC=CCC(F)(F)c1cnc(C(O)CC)[nH]1
InChIInChI=1S/C10H14F2N2O/c1-3-5-10(11,12)8-6-13-9(14-8)7(15)4-2/h3,6-7,15H,1,4-5H2,2H3,(H,13,14)
InChIKeySXAOHTVFZMKHGL-UHFFFAOYSA-N
XLogP2.52
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[5-(1,1-difluorobut-3-enyl)-1H-imidazol-2-yl]propan-1-ol with MolForge

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Related Compounds

[4-(propan-2-yl)-1H-imidazol-2-yl]methanol
CID 9877392
(1h-Imidazol-4-yl)propanol
CID 12344799
1-Hydroxyethyl-2-methylimidazole
CID 13606244
1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-ol
CID 58531236
1H-Imidazole-5-methanol, alpha-(trifluoromethyl)-
CID 13542025
5-pentyl-2-(trifluoromethyl)-1H-imidazole
CID 67746767
[5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazol-2-yl]methanol
CID 144654316
1,1,1-trifluoro-2-[5-[(Z)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enyl]-1H-imidazol-2-yl]propan-2-ol
CID 170201837
2-methyl-5-(3,3,3-trifluoropropyl)-1H-imidazole
CID 173264408
3-(2-methyl-1H-imidazol-5-yl)propan-1-ol;2,2,2-trifluoroacetic acid
CID 174876420
5-butyl-2-methyl-1H-imidazole;2,2,2-trifluoroacetic acid
CID 174876965
2-amino-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-ol
CID 178139651

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1-difluorobut-3-enyl)-1H-imidazol-2-yl]propan-1-ol?
The IUPAC name of 1-[5-(1,1-difluorobut-3-enyl)-1H-imidazol-2-yl]propan-1-ol (CID 123305415) is 1-[5-(1,1-difluorobut-3-enyl)-1H-imidazol-2-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(1,1-difluorobut-3-enyl)-1H-imidazol-2-yl]propan-1-ol?
The canonical SMILES for 1-[5-(1,1-difluorobut-3-enyl)-1H-imidazol-2-yl]propan-1-ol is C=CCC(F)(F)c1cnc(C(O)CC)[nH]1.
What is the InChIKey of 1-[5-(1,1-difluorobut-3-enyl)-1H-imidazol-2-yl]propan-1-ol?
The InChIKey is SXAOHTVFZMKHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-3-5-10(11,12)8-6-13-9(14-8)7(15)4-2/h3,6-7,15H,1,4-5H2,2H3,(H,13,14).
What are the key properties of 1-[5-(1,1-difluorobut-3-enyl)-1H-imidazol-2-yl]propan-1-ol?
1-[5-(1,1-difluorobut-3-enyl)-1H-imidazol-2-yl]propan-1-ol has a molecular weight of 216.23 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,1-difluorobut-3-enyl)-1H-imidazol-2-yl]propan-1-ol is sourced from PubChem (CID 123305415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).