[1-(1,1,2,2,2-pentafluoroethyl)imidazol-2-yl]methanol

C6H5F5N2O — CID 20509969

IUPAC[1-(1,1,2,2,2-pentafluoroethyl)imidazol-2-yl]methanol
SMILESOCc1nccn1C(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F5N2O/c7-5(8,9)6(10,11)13-2-1-12-4(13)3-14/h1-2,14H,3H2
InChIKeyRHDWQTYEXHLSGN-UHFFFAOYSA-N
MW216.11 g/mol
LogP1.49
Rot. Bonds2

About [1-(1,1,2,2,2-pentafluoroethyl)imidazol-2-yl]methanol

[1-(1,1,2,2,2-pentafluoroethyl)imidazol-2-yl]methanol (PubChem CID 20509969) has the molecular formula C6H5F5N2O and a molecular weight of 216.11 g/mol. Its IUPAC name is [1-(1,1,2,2,2-pentafluoroethyl)imidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-(1,1,2,2,2-pentafluoroethyl)imidazol-2-yl]methanol
PubChem CID20509969
Molecular FormulaC6H5F5N2O
Molecular Weight216.11 g/mol
Exact Mass216.03
IUPAC Name[1-(1,1,2,2,2-pentafluoroethyl)imidazol-2-yl]methanol
SMILESOCc1nccn1C(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F5N2O/c7-5(8,9)6(10,11)13-2-1-12-4(13)3-14/h1-2,14H,3H2
InChIKeyRHDWQTYEXHLSGN-UHFFFAOYSA-N
XLogP1.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-tritylimidazol-2-yl)methanol
CID 11131622
[1-(trifluoromethyl)imidazol-2-yl]methanamine;hydrochloride
CID 155970532
2-propyl-1-(trifluoromethyl)imidazole
CID 142926111
2-(1-tritylimidazol-2-yl)ethanol
CID 22120146
2-(hydroxymethyl)imidazole-1-sulfonic acid
CID 123230297
1-ethyl-2-(iodomethyl)imidazole
CID 64786618
(1-butan-2-ylimidazol-2-yl)methanol
CID 45088406
[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]methanol
CID 62223688
(1-tert-butylimidazol-2-yl)methanamine
CID 55268001
[1-(4-aminophenyl)imidazol-2-yl]methanol
CID 59577798
2-(aminomethyl)-1,1,1-trifluoro-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79737849
3-(1-tert-butylimidazol-2-yl)propanoic acid
CID 83879918

Frequently Asked Questions

What is the IUPAC name of [1-(1,1,2,2,2-pentafluoroethyl)imidazol-2-yl]methanol?
The IUPAC name of [1-(1,1,2,2,2-pentafluoroethyl)imidazol-2-yl]methanol (CID 20509969) is [1-(1,1,2,2,2-pentafluoroethyl)imidazol-2-yl]methanol.
What is the SMILES notation for [1-(1,1,2,2,2-pentafluoroethyl)imidazol-2-yl]methanol?
The canonical SMILES for [1-(1,1,2,2,2-pentafluoroethyl)imidazol-2-yl]methanol is OCc1nccn1C(F)(F)C(F)(F)F.
What is the InChIKey of [1-(1,1,2,2,2-pentafluoroethyl)imidazol-2-yl]methanol?
The InChIKey is RHDWQTYEXHLSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5N2O/c7-5(8,9)6(10,11)13-2-1-12-4(13)3-14/h1-2,14H,3H2.
What are the key properties of [1-(1,1,2,2,2-pentafluoroethyl)imidazol-2-yl]methanol?
[1-(1,1,2,2,2-pentafluoroethyl)imidazol-2-yl]methanol has a molecular weight of 216.11 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1,2,2,2-pentafluoroethyl)imidazol-2-yl]methanol is sourced from PubChem (CID 20509969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).