1-[4-chloro-3-(trifluoromethyl)phenyl]triazole

C9H5ClF3N3 — CID 13106125

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]triazole
SMILESFC(F)(F)c1cc(-n2ccnn2)ccc1Cl
InChIInChI=1S/C9H5ClF3N3/c10-8-2-1-6(16-4-3-14-15-16)5-7(8)9(11,12)13/h1-5H
InChIKeySYIRPQOOLRXDHA-UHFFFAOYSA-N
MW247.61 g/mol
LogP2.94
Rot. Bonds1

About 1-[4-chloro-3-(trifluoromethyl)phenyl]triazole

1-[4-chloro-3-(trifluoromethyl)phenyl]triazole (PubChem CID 13106125) has the molecular formula C9H5ClF3N3 and a molecular weight of 247.61 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]triazole.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]triazole
PubChem CID13106125
Molecular FormulaC9H5ClF3N3
Molecular Weight247.61 g/mol
Exact Mass247.01
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]triazole
SMILESFC(F)(F)c1cc(-n2ccnn2)ccc1Cl
InChIInChI=1S/C9H5ClF3N3/c10-8-2-1-6(16-4-3-14-15-16)5-7(8)9(11,12)13/h1-5H
InChIKeySYIRPQOOLRXDHA-UHFFFAOYSA-N
XLogP2.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.61
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-(4-Chloro-3-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methanol
CID 62401451
1-[2,4-Dichloro-3-(trifluoromethyl)phenyl]triazole
CID 146438044
1-(3-Trifluoromethylphenyl)-1H-1,2,3-triazole
CID 13106122
4,5-Dideuterio-1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole
CID 146425097
1-[2,4-Dichloro-3-(trifluoromethyl)phenyl]-4-methyltriazole
CID 146437909
[1-[2,4-Dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methanamine
CID 168283142
1-(4-Chlorophenyl)-1H-1,2,3-triazole
CID 13106105
1-(3-chlorophenyl)-4-(difluoromethyl)-1H-1,2,3-triazole
CID 16074343
1-(3-Chlorophenyl)-1H-1,2,3-triazole
CID 13106104
2-{1-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}ethan-1-ol
CID 62401452
1-[3,4-Dichloro-5-(trifluoromethyl)phenyl]triazole
CID 146425067
1-[2,4-Dichloro-5-(trifluoromethyl)phenyl]triazole
CID 146425098

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]triazole?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]triazole (CID 13106125) is 1-[4-chloro-3-(trifluoromethyl)phenyl]triazole.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]triazole?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]triazole is FC(F)(F)c1cc(-n2ccnn2)ccc1Cl.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]triazole?
The InChIKey is SYIRPQOOLRXDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3N3/c10-8-2-1-6(16-4-3-14-15-16)5-7(8)9(11,12)13/h1-5H.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]triazole?
1-[4-chloro-3-(trifluoromethyl)phenyl]triazole has a molecular weight of 247.61 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]triazole is sourced from PubChem (CID 13106125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).