5-(difluoromethyl)-3-thiophen-2-yl-1H-1,2,4-triazole

C7H5F2N3S — CID 62733582

IUPAC5-(difluoromethyl)-3-thiophen-2-yl-1H-1,2,4-triazole
SMILESFC(F)c1nc(-c2cccs2)n[nH]1
InChIInChI=1S/C7H5F2N3S/c8-5(9)7-10-6(11-12-7)4-2-1-3-13-4/h1-3,5H,(H,10,11,12)
InChIKeyKYMXYDDUPGUKDX-UHFFFAOYSA-N
MW201.20 g/mol
LogP2.47
Rot. Bonds2

About 5-(difluoromethyl)-3-thiophen-2-yl-1H-1,2,4-triazole

5-(difluoromethyl)-3-thiophen-2-yl-1H-1,2,4-triazole (PubChem CID 62733582) has the molecular formula C7H5F2N3S and a molecular weight of 201.20 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-thiophen-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(difluoromethyl)-3-thiophen-2-yl-1H-1,2,4-triazole
PubChem CID62733582
Molecular FormulaC7H5F2N3S
Molecular Weight201.20 g/mol
Exact Mass201.02
IUPAC Name5-(difluoromethyl)-3-thiophen-2-yl-1H-1,2,4-triazole
SMILESFC(F)c1nc(-c2cccs2)n[nH]1
InChIInChI=1S/C7H5F2N3S/c8-5(9)7-10-6(11-12-7)4-2-1-3-13-4/h1-3,5H,(H,10,11,12)
InChIKeyKYMXYDDUPGUKDX-UHFFFAOYSA-N
XLogP2.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-thiophen-2-yl-1H-1,2,4-triazole?
The IUPAC name of 5-(difluoromethyl)-3-thiophen-2-yl-1H-1,2,4-triazole (CID 62733582) is 5-(difluoromethyl)-3-thiophen-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 5-(difluoromethyl)-3-thiophen-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 5-(difluoromethyl)-3-thiophen-2-yl-1H-1,2,4-triazole is FC(F)c1nc(-c2cccs2)n[nH]1.
What is the InChIKey of 5-(difluoromethyl)-3-thiophen-2-yl-1H-1,2,4-triazole?
The InChIKey is KYMXYDDUPGUKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N3S/c8-5(9)7-10-6(11-12-7)4-2-1-3-13-4/h1-3,5H,(H,10,11,12).
What are the key properties of 5-(difluoromethyl)-3-thiophen-2-yl-1H-1,2,4-triazole?
5-(difluoromethyl)-3-thiophen-2-yl-1H-1,2,4-triazole has a molecular weight of 201.20 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-thiophen-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 62733582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).