1-chloro-4-(trifluoromethyl)triazole

C3HClF3N3 — CID 91300537

IUPAC1-chloro-4-(trifluoromethyl)triazole
SMILESFC(F)(F)c1cn(Cl)nn1
InChIInChI=1S/C3HClF3N3/c4-10-1-2(8-9-10)3(5,6)7/h1H
InChIKeyCRGCPRFJDLMOQV-UHFFFAOYSA-N
MW171.51 g/mol
LogP1.30
Rot. Bonds

About 1-chloro-4-(trifluoromethyl)triazole

1-chloro-4-(trifluoromethyl)triazole (PubChem CID 91300537) has the molecular formula C3HClF3N3 and a molecular weight of 171.51 g/mol. Its IUPAC name is 1-chloro-4-(trifluoromethyl)triazole.

Molecular Properties

Compound Name1-chloro-4-(trifluoromethyl)triazole
PubChem CID91300537
Molecular FormulaC3HClF3N3
Molecular Weight171.51 g/mol
Exact Mass170.98
IUPAC Name1-chloro-4-(trifluoromethyl)triazole
SMILESFC(F)(F)c1cn(Cl)nn1
InChIInChI=1S/C3HClF3N3/c4-10-1-2(8-9-10)3(5,6)7/h1H
InChIKeyCRGCPRFJDLMOQV-UHFFFAOYSA-N
XLogP1.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.51
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(trifluoromethyl)triazol-1-amine
CID 19889053
1-(4-bromophenyl)-4-(trifluoromethyl)triazole
CID 165447875
1-methyl-4-(trifluoromethyl)imidazole
CID 12785667
[2-propan-2-yl-5-[4-(trifluoromethyl)triazol-1-yl]phenyl]methanol
CID 174821236
4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-3-methoxypyridine
CID 152632273
bis(1,4-ditert-butyltriazole);methane
CID 158842263
2,2-difluoro-2-(1-methyltriazol-4-yl)acetic acid
CID 130603022
2-[1-[3-chloro-5-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine
CID 116700797
3,6-bis(trifluoromethyl)-1,2,4-triazine
CID 170294965
2-tert-butyl-1-methyl-4-(trifluoromethyl)imidazole
CID 15500426
1-chloro-3-(trifluoromethyl)pyrrole
CID 174865922
4-[4-fluoro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-1H-pyrimidin-6-one
CID 136969597

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(trifluoromethyl)triazole?
The IUPAC name of 1-chloro-4-(trifluoromethyl)triazole (CID 91300537) is 1-chloro-4-(trifluoromethyl)triazole.
What is the SMILES notation for 1-chloro-4-(trifluoromethyl)triazole?
The canonical SMILES for 1-chloro-4-(trifluoromethyl)triazole is FC(F)(F)c1cn(Cl)nn1.
What is the InChIKey of 1-chloro-4-(trifluoromethyl)triazole?
The InChIKey is CRGCPRFJDLMOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HClF3N3/c4-10-1-2(8-9-10)3(5,6)7/h1H.
What are the key properties of 1-chloro-4-(trifluoromethyl)triazole?
1-chloro-4-(trifluoromethyl)triazole has a molecular weight of 171.51 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(trifluoromethyl)triazole is sourced from PubChem (CID 91300537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).