5-fluoro-1-methyl-4-(trifluoromethyl)triazole

C4H3F4N3 — CID 69382770

IUPAC5-fluoro-1-methyl-4-(trifluoromethyl)triazole
SMILESCn1nnc(C(F)(F)F)c1F
InChIInChI=1S/C4H3F4N3/c1-11-3(5)2(9-10-11)4(6,7)8/h1H3
InChIKeyZTEVLFQHBXMKDB-UHFFFAOYSA-N
MW169.08 g/mol
LogP0.97
Rot. Bonds

About 5-fluoro-1-methyl-4-(trifluoromethyl)triazole

5-fluoro-1-methyl-4-(trifluoromethyl)triazole (PubChem CID 69382770) has the molecular formula C4H3F4N3 and a molecular weight of 169.08 g/mol. Its IUPAC name is 5-fluoro-1-methyl-4-(trifluoromethyl)triazole.

Molecular Properties

Compound Name5-fluoro-1-methyl-4-(trifluoromethyl)triazole
PubChem CID69382770
Molecular FormulaC4H3F4N3
Molecular Weight169.08 g/mol
Exact Mass169.03
IUPAC Name5-fluoro-1-methyl-4-(trifluoromethyl)triazole
SMILESCn1nnc(C(F)(F)F)c1F
InChIInChI=1S/C4H3F4N3/c1-11-3(5)2(9-10-11)4(6,7)8/h1H3
InChIKeyZTEVLFQHBXMKDB-UHFFFAOYSA-N
XLogP0.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.08
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-5-(trifluoromethyl)-1H-1,2,3-triazole-4-carbonitrile
CID 69386294
5-Bromo-1-methyl-4-(trifluoromethyl)triazole
CID 14489359
1-Methyl-4,5-bis(trifluoromethyl)triazole
CID 14489365
1,4-Dimethyl-5-(trifluoromethyl)triazole
CID 20719662
1-Ethyl-5-fluoro-4-(trifluoromethyl)triazole
CID 69381685
1-Butyl-4-fluoro-5-(trifluoromethyl)triazole
CID 69381703
5-Chloro-1-methyl-4-(trifluoromethyl)triazole
CID 69382340
1,5-Dimethyl-4-(trifluoromethyl)triazole
CID 69382668
4-Fluoro-1-methyl-5-(trifluoromethyl)triazole
CID 69382819
4-Fluoro-1-propyl-5-(trifluoromethyl)triazole
CID 69382881
1-Ethyl-5-fluoro-4-methyltriazole
CID 69382924
5-Fluoro-1-methyl-4-(trichloromethyl)triazole
CID 69383289

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-4-(trifluoromethyl)triazole?
The IUPAC name of 5-fluoro-1-methyl-4-(trifluoromethyl)triazole (CID 69382770) is 5-fluoro-1-methyl-4-(trifluoromethyl)triazole.
What is the SMILES notation for 5-fluoro-1-methyl-4-(trifluoromethyl)triazole?
The canonical SMILES for 5-fluoro-1-methyl-4-(trifluoromethyl)triazole is Cn1nnc(C(F)(F)F)c1F.
What is the InChIKey of 5-fluoro-1-methyl-4-(trifluoromethyl)triazole?
The InChIKey is ZTEVLFQHBXMKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F4N3/c1-11-3(5)2(9-10-11)4(6,7)8/h1H3.
What are the key properties of 5-fluoro-1-methyl-4-(trifluoromethyl)triazole?
5-fluoro-1-methyl-4-(trifluoromethyl)triazole has a molecular weight of 169.08 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-4-(trifluoromethyl)triazole is sourced from PubChem (CID 69382770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).