[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanol

C11H8Cl2F3N3O — CID 19778391

IUPAC[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanol
SMILESCc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1CO
InChIInChI=1S/C11H8Cl2F3N3O/c1-5-9(4-20)18-19(17-5)10-7(12)2-6(3-8(10)13)11(14,15)16/h2-3,20H,4H2,1H3
InChIKeyDUTKLSARKXLXKV-UHFFFAOYSA-N
MW326.11 g/mol
LogP3.39
Rot. Bonds2

About [2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanol

[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanol (PubChem CID 19778391) has the molecular formula C11H8Cl2F3N3O and a molecular weight of 326.11 g/mol. Its IUPAC name is [2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanol
PubChem CID19778391
Molecular FormulaC11H8Cl2F3N3O
Molecular Weight326.11 g/mol
Exact Mass325.00
IUPAC Name[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanol
SMILESCc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1CO
InChIInChI=1S/C11H8Cl2F3N3O/c1-5-9(4-20)18-19(17-5)10-7(12)2-6(3-8(10)13)11(14,15)16/h2-3,20H,4H2,1H3
InChIKeyDUTKLSARKXLXKV-UHFFFAOYSA-N
XLogP3.39
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanol?
The IUPAC name of [2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanol (CID 19778391) is [2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanol.
What is the SMILES notation for [2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanol?
The canonical SMILES for [2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanol is Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1CO.
What is the InChIKey of [2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanol?
The InChIKey is DUTKLSARKXLXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F3N3O/c1-5-9(4-20)18-19(17-5)10-7(12)2-6(3-8(10)13)11(14,15)16/h2-3,20H,4H2,1H3.
What are the key properties of [2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanol?
[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanol has a molecular weight of 326.11 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanol is sourced from PubChem (CID 19778391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).