[1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol

C10H7ClF3N3O — CID 62401451

IUPAC[1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(Cl)c(C(F)(F)F)c2)nn1
InChIInChI=1S/C10H7ClF3N3O/c11-9-2-1-7(3-8(9)10(12,13)14)17-4-6(5-18)15-16-17/h1-4,18H,5H2
InChIKeyMTSIIXPDVHCKBB-UHFFFAOYSA-N
MW277.63 g/mol
LogP2.43
Rot. Bonds2

About [1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol

[1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol (PubChem CID 62401451) has the molecular formula C10H7ClF3N3O and a molecular weight of 277.63 g/mol. Its IUPAC name is [1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
PubChem CID62401451
Molecular FormulaC10H7ClF3N3O
Molecular Weight277.63 g/mol
Exact Mass277.02
IUPAC Name[1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(Cl)c(C(F)(F)F)c2)nn1
InChIInChI=1S/C10H7ClF3N3O/c11-9-2-1-7(3-8(9)10(12,13)14)17-4-6(5-18)15-16-17/h1-4,18H,5H2
InChIKeyMTSIIXPDVHCKBB-UHFFFAOYSA-N
XLogP2.43
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.63
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 2763878
[1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 1475797
1-[4-Chloro-3-(trifluoromethyl)phenyl]triazole
CID 13106125
[1-[2,4-Dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 146425100
(1-(2-chlorophenyl)-1H-1,2,3-triazol-4-yl)methanol
CID 53474091
[1-(2,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 62401068
1-[2,4-Dichloro-3-(trifluoromethyl)phenyl]triazole-4-carboxylic acid
CID 146425064
1-[2,4-Dichloro-3-(trifluoromethyl)phenyl]-4-methyltriazole
CID 146437909
[1-[3-Chloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 151740981
1-[2,4-Dichloro-3-(trifluoromethyl)phenyl]-4-(methoxymethyl)triazole
CID 168269660
[1-(3,5-Dichlorophenyl)triazol-4-yl]methanol
CID 53474184
[1-(3-chlorophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 56683787

Frequently Asked Questions

What is the IUPAC name of [1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The IUPAC name of [1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol (CID 62401451) is [1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol is OCc1cn(-c2ccc(Cl)c(C(F)(F)F)c2)nn1.
What is the InChIKey of [1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The InChIKey is MTSIIXPDVHCKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N3O/c11-9-2-1-7(3-8(9)10(12,13)14)17-4-6(5-18)15-16-17/h1-4,18H,5H2.
What are the key properties of [1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
[1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol has a molecular weight of 277.63 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol is sourced from PubChem (CID 62401451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).