fluoroform;1-methyltriazole

C4H6F3N3 — CID 174723397

IUPACfluoroform;1-methyltriazole
SMILESCn1ccnn1.FC(F)F
InChIInChI=1S/C3H5N3.CHF3/c1-6-3-2-4-5-6;2-1(3)4/h2-3H,1H3;1H
InChIKeyDVEKEDAMDKTWBH-UHFFFAOYSA-N
MW153.11 g/mol
LogP0.99
Rot. Bonds

About fluoroform;1-methyltriazole

fluoroform;1-methyltriazole (PubChem CID 174723397) has the molecular formula C4H6F3N3 and a molecular weight of 153.11 g/mol. Its IUPAC name is fluoroform;1-methyltriazole.

Molecular Properties

Compound Namefluoroform;1-methyltriazole
PubChem CID174723397
Molecular FormulaC4H6F3N3
Molecular Weight153.11 g/mol
Exact Mass153.05
IUPAC Namefluoroform;1-methyltriazole
SMILESCn1ccnn1.FC(F)F
InChIInChI=1S/C3H5N3.CHF3/c1-6-3-2-4-5-6;2-1(3)4/h2-3H,1H3;1H
InChIKeyDVEKEDAMDKTWBH-UHFFFAOYSA-N
XLogP0.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.11
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of fluoroform;1-methyltriazole?
The IUPAC name of fluoroform;1-methyltriazole (CID 174723397) is fluoroform;1-methyltriazole.
What is the SMILES notation for fluoroform;1-methyltriazole?
The canonical SMILES for fluoroform;1-methyltriazole is Cn1ccnn1.FC(F)F.
What is the InChIKey of fluoroform;1-methyltriazole?
The InChIKey is DVEKEDAMDKTWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3.CHF3/c1-6-3-2-4-5-6;2-1(3)4/h2-3H,1H3;1H.
What are the key properties of fluoroform;1-methyltriazole?
fluoroform;1-methyltriazole has a molecular weight of 153.11 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroform;1-methyltriazole is sourced from PubChem (CID 174723397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).