(1R)-1-(1-butylimidazol-2-yl)-2,2,2-trifluoroethanol

C9H13F3N2O — CID 9267880

IUPAC(1R)-1-(1-butylimidazol-2-yl)-2,2,2-trifluoroethanol
SMILESCCCCn1ccnc1[C@@H](O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O/c1-2-3-5-14-6-4-13-8(14)7(15)9(10,11)12/h4,6-7,15H,2-3,5H2,1H3/t7-/m1/s1
InChIKeyXZIZSQIAXRVGKW-SSDOTTSWSA-N
MW222.21 g/mol
LogP2.28
Rot. Bonds4

About (1R)-1-(1-butylimidazol-2-yl)-2,2,2-trifluoroethanol

(1R)-1-(1-butylimidazol-2-yl)-2,2,2-trifluoroethanol (PubChem CID 9267880) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is (1R)-1-(1-butylimidazol-2-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name(1R)-1-(1-butylimidazol-2-yl)-2,2,2-trifluoroethanol
PubChem CID9267880
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name(1R)-1-(1-butylimidazol-2-yl)-2,2,2-trifluoroethanol
SMILESCCCCn1ccnc1[C@@H](O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O/c1-2-3-5-14-6-4-13-8(14)7(15)9(10,11)12/h4,6-7,15H,2-3,5H2,1H3/t7-/m1/s1
InChIKeyXZIZSQIAXRVGKW-SSDOTTSWSA-N
XLogP2.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-(1-pentylimidazol-2-yl)propan-1-ol
CID 102490463
1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2,2-trifluoroethanol
CID 135388186
1-butyl-2-propan-2-ylimidazole
CID 11506521
1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol
CID 115800026
2-(dimethylamino)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-ol
CID 79047519
2-(diethylamino)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-ol
CID 79053769
2-(diethylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-1-ol
CID 79064029
2-methyl-2-phenyl-1-(1-propylimidazol-2-yl)propan-1-ol
CID 63975212
1-(1-ethylimidazol-2-yl)-3,3-dimethylbutane-1,2-diol
CID 103457324
2-(dimethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-ol
CID 79063348
1-butyl-2-iodoimidazole
CID 69317070
1-butylimidazol-2-amine
CID 60860613

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-butylimidazol-2-yl)-2,2,2-trifluoroethanol?
The IUPAC name of (1R)-1-(1-butylimidazol-2-yl)-2,2,2-trifluoroethanol (CID 9267880) is (1R)-1-(1-butylimidazol-2-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for (1R)-1-(1-butylimidazol-2-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for (1R)-1-(1-butylimidazol-2-yl)-2,2,2-trifluoroethanol is CCCCn1ccnc1[C@@H](O)C(F)(F)F.
What is the InChIKey of (1R)-1-(1-butylimidazol-2-yl)-2,2,2-trifluoroethanol?
The InChIKey is XZIZSQIAXRVGKW-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-2-3-5-14-6-4-13-8(14)7(15)9(10,11)12/h4,6-7,15H,2-3,5H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-(1-butylimidazol-2-yl)-2,2,2-trifluoroethanol?
(1R)-1-(1-butylimidazol-2-yl)-2,2,2-trifluoroethanol has a molecular weight of 222.21 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-butylimidazol-2-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 9267880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).