2-fluoro-4-methyl-1,3-dihydrotriazole

C3H6FN3 — CID 144561664

IUPAC2-fluoro-4-methyl-1,3-dihydrotriazole
SMILESCC1=CNN(F)N1
InChIInChI=1S/C3H6FN3/c1-3-2-5-7(4)6-3/h2,5-6H,1H3
InChIKeyDLHLUCOVGBHGCL-UHFFFAOYSA-N
MW103.10 g/mol
LogP0.06
Rot. Bonds

About 2-fluoro-4-methyl-1,3-dihydrotriazole

2-fluoro-4-methyl-1,3-dihydrotriazole (PubChem CID 144561664) has the molecular formula C3H6FN3 and a molecular weight of 103.10 g/mol. Its IUPAC name is 2-fluoro-4-methyl-1,3-dihydrotriazole.

Molecular Properties

Compound Name2-fluoro-4-methyl-1,3-dihydrotriazole
PubChem CID144561664
Molecular FormulaC3H6FN3
Molecular Weight103.10 g/mol
Exact Mass103.05
IUPAC Name2-fluoro-4-methyl-1,3-dihydrotriazole
SMILESCC1=CNN(F)N1
InChIInChI=1S/C3H6FN3/c1-3-2-5-7(4)6-3/h2,5-6H,1H3
InChIKeyDLHLUCOVGBHGCL-UHFFFAOYSA-N
XLogP0.06
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.10
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-1,3-dihydrotriazole?
The IUPAC name of 2-fluoro-4-methyl-1,3-dihydrotriazole (CID 144561664) is 2-fluoro-4-methyl-1,3-dihydrotriazole.
What is the SMILES notation for 2-fluoro-4-methyl-1,3-dihydrotriazole?
The canonical SMILES for 2-fluoro-4-methyl-1,3-dihydrotriazole is CC1=CNN(F)N1.
What is the InChIKey of 2-fluoro-4-methyl-1,3-dihydrotriazole?
The InChIKey is DLHLUCOVGBHGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FN3/c1-3-2-5-7(4)6-3/h2,5-6H,1H3.
What are the key properties of 2-fluoro-4-methyl-1,3-dihydrotriazole?
2-fluoro-4-methyl-1,3-dihydrotriazole has a molecular weight of 103.10 g/mol, XLogP of 0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-1,3-dihydrotriazole is sourced from PubChem (CID 144561664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).