[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methanol

C10H6Cl2F3N3O — CID 19778386

IUPAC[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESOCc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1
InChIInChI=1S/C10H6Cl2F3N3O/c11-7-1-5(10(13,14)15)2-8(12)9(7)18-3-6(4-19)16-17-18/h1-3,19H,4H2
InChIKeyDOZXXFKCRQRGTH-UHFFFAOYSA-N
MW312.08 g/mol
LogP3.09
Rot. Bonds2

About [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methanol

[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methanol (PubChem CID 19778386) has the molecular formula C10H6Cl2F3N3O and a molecular weight of 312.08 g/mol. Its IUPAC name is [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
PubChem CID19778386
Molecular FormulaC10H6Cl2F3N3O
Molecular Weight312.08 g/mol
Exact Mass310.98
IUPAC Name[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESOCc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1
InChIInChI=1S/C10H6Cl2F3N3O/c11-7-1-5(10(13,14)15)2-8(12)9(7)18-3-6(4-19)16-17-18/h1-3,19H,4H2
InChIKeyDOZXXFKCRQRGTH-UHFFFAOYSA-N
XLogP3.09
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.08
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-bromo-2,6-dichlorophenyl)triazol-4-yl]methanol
CID 62401832
2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol
CID 62401649
[1-(5-bromo-2-chlorophenyl)triazol-4-yl]methanol
CID 62907899
1-(4-bromo-2,6-dichlorophenyl)-4-(chloromethyl)triazole
CID 62399680
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazole
CID 91517519
[1-[4-bromo-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 64854550
4-chloro-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 18614754
4-bromo-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazole
CID 14402643
2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 62399576
4-cyclopropyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
CID 18699453
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carbonyl chloride
CID 141466675
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,5-difluoro-4,6-dihydrocyclopenta[c]pyrazol-4-ol
CID 18614778

Frequently Asked Questions

What is the IUPAC name of [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The IUPAC name of [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methanol (CID 19778386) is [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methanol is OCc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1.
What is the InChIKey of [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The InChIKey is DOZXXFKCRQRGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F3N3O/c11-7-1-5(10(13,14)15)2-8(12)9(7)18-3-6(4-19)16-17-18/h1-3,19H,4H2.
What are the key properties of [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methanol has a molecular weight of 312.08 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methanol is sourced from PubChem (CID 19778386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).