4-(difluoromethyl)-5-(2-methylpropyl)-2H-triazole

C7H11F2N3 — CID 167188573

IUPAC4-(difluoromethyl)-5-(2-methylpropyl)-2H-triazole
SMILESCC(C)Cc1n[nH]nc1C(F)F
InChIInChI=1S/C7H11F2N3/c1-4(2)3-5-6(7(8)9)11-12-10-5/h4,7H,3H2,1-2H3,(H,10,11,12)
InChIKeyILAYAUFMRNNQQX-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.94
Rot. Bonds3

About 4-(difluoromethyl)-5-(2-methylpropyl)-2H-triazole

4-(difluoromethyl)-5-(2-methylpropyl)-2H-triazole (PubChem CID 167188573) has the molecular formula C7H11F2N3 and a molecular weight of 175.18 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-(2-methylpropyl)-2H-triazole.

Molecular Properties

Compound Name4-(difluoromethyl)-5-(2-methylpropyl)-2H-triazole
PubChem CID167188573
Molecular FormulaC7H11F2N3
Molecular Weight175.18 g/mol
Exact Mass175.09
IUPAC Name4-(difluoromethyl)-5-(2-methylpropyl)-2H-triazole
SMILESCC(C)Cc1n[nH]nc1C(F)F
InChIInChI=1S/C7H11F2N3/c1-4(2)3-5-6(7(8)9)11-12-10-5/h4,7H,3H2,1-2H3,(H,10,11,12)
InChIKeyILAYAUFMRNNQQX-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-(2-methylpropyl)-2H-triazole?
The IUPAC name of 4-(difluoromethyl)-5-(2-methylpropyl)-2H-triazole (CID 167188573) is 4-(difluoromethyl)-5-(2-methylpropyl)-2H-triazole.
What is the SMILES notation for 4-(difluoromethyl)-5-(2-methylpropyl)-2H-triazole?
The canonical SMILES for 4-(difluoromethyl)-5-(2-methylpropyl)-2H-triazole is CC(C)Cc1n[nH]nc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-(2-methylpropyl)-2H-triazole?
The InChIKey is ILAYAUFMRNNQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3/c1-4(2)3-5-6(7(8)9)11-12-10-5/h4,7H,3H2,1-2H3,(H,10,11,12).
What are the key properties of 4-(difluoromethyl)-5-(2-methylpropyl)-2H-triazole?
4-(difluoromethyl)-5-(2-methylpropyl)-2H-triazole has a molecular weight of 175.18 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-(2-methylpropyl)-2H-triazole is sourced from PubChem (CID 167188573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).