4-(trifluoromethyl)-2,3-dihydro-1H-triazole

C3H4F3N3 — CID 55252561

IUPAC4-(trifluoromethyl)-2,3-dihydro-1H-triazole
SMILESFC(F)(F)C1=CNNN1
InChIInChI=1S/C3H4F3N3/c4-3(5,6)2-1-7-9-8-2/h1,7-9H
InChIKeyBJYUBXBCIWICRO-UHFFFAOYSA-N
MW139.08 g/mol
LogP0.00
Rot. Bonds

About 4-(trifluoromethyl)-2,3-dihydro-1H-triazole

4-(trifluoromethyl)-2,3-dihydro-1H-triazole (PubChem CID 55252561) has the molecular formula C3H4F3N3 and a molecular weight of 139.08 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2,3-dihydro-1H-triazole.

Molecular Properties

Compound Name4-(trifluoromethyl)-2,3-dihydro-1H-triazole
PubChem CID55252561
Molecular FormulaC3H4F3N3
Molecular Weight139.08 g/mol
Exact Mass139.04
IUPAC Name4-(trifluoromethyl)-2,3-dihydro-1H-triazole
SMILESFC(F)(F)C1=CNNN1
InChIInChI=1S/C3H4F3N3/c4-3(5,6)2-1-7-9-8-2/h1,7-9H
InChIKeyBJYUBXBCIWICRO-UHFFFAOYSA-N
XLogP0.00
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.08
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-2,3-dihydro-1H-triazole?
The IUPAC name of 4-(trifluoromethyl)-2,3-dihydro-1H-triazole (CID 55252561) is 4-(trifluoromethyl)-2,3-dihydro-1H-triazole.
What is the SMILES notation for 4-(trifluoromethyl)-2,3-dihydro-1H-triazole?
The canonical SMILES for 4-(trifluoromethyl)-2,3-dihydro-1H-triazole is FC(F)(F)C1=CNNN1.
What is the InChIKey of 4-(trifluoromethyl)-2,3-dihydro-1H-triazole?
The InChIKey is BJYUBXBCIWICRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F3N3/c4-3(5,6)2-1-7-9-8-2/h1,7-9H.
What are the key properties of 4-(trifluoromethyl)-2,3-dihydro-1H-triazole?
4-(trifluoromethyl)-2,3-dihydro-1H-triazole has a molecular weight of 139.08 g/mol, XLogP of 0.00, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-2,3-dihydro-1H-triazole is sourced from PubChem (CID 55252561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).