1-(5-bromo-3-methyltriazol-4-yl)-1-(3-fluorophenyl)ethanol

C11H11BrFN3O — CID 106461068

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-1-(3-fluorophenyl)ethanol
SMILESCn1nnc(Br)c1C(C)(O)c1cccc(F)c1
InChIInChI=1S/C11H11BrFN3O/c1-11(17,7-4-3-5-8(13)6-7)9-10(12)14-15-16(9)2/h3-6,17H,1-2H3
InChIKeyHFWKLDIBXRQPRG-UHFFFAOYSA-N
MW300.13 g/mol
LogP1.97
Rot. Bonds2

About 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-fluorophenyl)ethanol

1-(5-bromo-3-methyltriazol-4-yl)-1-(3-fluorophenyl)ethanol (PubChem CID 106461068) has the molecular formula C11H11BrFN3O and a molecular weight of 300.13 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-1-(3-fluorophenyl)ethanol
PubChem CID106461068
Molecular FormulaC11H11BrFN3O
Molecular Weight300.13 g/mol
Exact Mass299.01
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-1-(3-fluorophenyl)ethanol
SMILESCn1nnc(Br)c1C(C)(O)c1cccc(F)c1
InChIInChI=1S/C11H11BrFN3O/c1-11(17,7-4-3-5-8(13)6-7)9-10(12)14-15-16(9)2/h3-6,17H,1-2H3
InChIKeyHFWKLDIBXRQPRG-UHFFFAOYSA-N
XLogP1.97
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-Bromo-3-(methoxymethyl)triazol-4-yl]-diphenylmethanol
CID 10761918
[5-[(4-Fluorophenyl)methyl]-1-methyltriazol-4-yl]methanol
CID 82207725
[3-Octyl-5-(trifluoromethyl)triazol-4-yl]-diphenylmethanol
CID 101854994
(5-Bromo-3-methyltriazol-4-yl)-(4-fluoronaphthalen-1-yl)methanol
CID 105602734
1-(5-Bromo-3-methyltriazol-4-yl)-1-(4-fluorophenyl)ethanol
CID 106461067
1-(5-Bromo-3-methyltriazol-4-yl)-1-(2-fluorophenyl)ethanol
CID 106461069
1-(5-Bromo-3-methyltriazol-4-yl)-1-(2,4-dichloro-5-fluorophenyl)ethanol
CID 106461086
(5-Bromo-3-methyltriazol-4-yl)-(4-fluorophenyl)methanol
CID 106461153
(5-Bromo-3-methyltriazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol
CID 106461157
(5-Bromo-3-methyltriazol-4-yl)-(2-fluorophenyl)methanol
CID 106461162
(5-Bromo-3-methyltriazol-4-yl)-(3-fluorophenyl)methanol
CID 106461163
(5-Bromo-3-methyltriazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 106461164

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-fluorophenyl)ethanol?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-fluorophenyl)ethanol (CID 106461068) is 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-fluorophenyl)ethanol?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-fluorophenyl)ethanol is Cn1nnc(Br)c1C(C)(O)c1cccc(F)c1.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-fluorophenyl)ethanol?
The InChIKey is HFWKLDIBXRQPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O/c1-11(17,7-4-3-5-8(13)6-7)9-10(12)14-15-16(9)2/h3-6,17H,1-2H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-fluorophenyl)ethanol?
1-(5-bromo-3-methyltriazol-4-yl)-1-(3-fluorophenyl)ethanol has a molecular weight of 300.13 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 106461068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).