(5-bromo-3-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol

C11H9BrF3N3O — CID 106461185

IUPAC(5-bromo-3-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol
SMILESCn1nnc(Br)c1C(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H9BrF3N3O/c1-18-8(10(12)16-17-18)9(19)6-3-2-4-7(5-6)11(13,14)15/h2-5,9,19H,1H3
InChIKeyCWNIBQHKTXUYSH-UHFFFAOYSA-N
MW336.11 g/mol
LogP2.68
Rot. Bonds2

About (5-bromo-3-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol

(5-bromo-3-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol (PubChem CID 106461185) has the molecular formula C11H9BrF3N3O and a molecular weight of 336.11 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol
PubChem CID106461185
Molecular FormulaC11H9BrF3N3O
Molecular Weight336.11 g/mol
Exact Mass334.99
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol
SMILESCn1nnc(Br)c1C(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H9BrF3N3O/c1-18-8(10(12)16-17-18)9(19)6-3-2-4-7(5-6)11(13,14)15/h2-5,9,19H,1H3
InChIKeyCWNIBQHKTXUYSH-UHFFFAOYSA-N
XLogP2.68
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.11
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 107978303
(3-bromo-4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 115792429
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 114635032
pyridin-4-yl-[3-(trifluoromethyl)phenyl]methanol
CID 11425288
(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 60799413
pyrimidin-5-yl-[3-(trifluoromethyl)phenyl]methanol
CID 62491180
(5-bromo-3-methyltriazol-4-yl)-(3,5-dibromo-2-pyridinyl)methanol
CID 106461393
(4-tert-butylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 105092738
3-methyl-1-[3-(trifluoromethyl)phenyl]but-2-en-1-ol
CID 59652784
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
1-(4-bromo-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 114644162
(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 129052960

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol (CID 106461185) is (5-bromo-3-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol is Cn1nnc(Br)c1C(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol?
The InChIKey is CWNIBQHKTXUYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF3N3O/c1-18-8(10(12)16-17-18)9(19)6-3-2-4-7(5-6)11(13,14)15/h2-5,9,19H,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol?
(5-bromo-3-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol has a molecular weight of 336.11 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 106461185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).