5-(1,1-difluoropropyl)-1H-1,2,4-triazole

C5H7F2N3 — CID 67570870

IUPAC5-(1,1-difluoropropyl)-1H-1,2,4-triazole
SMILESCCC(F)(F)c1ncn[nH]1
InChIInChI=1S/C5H7F2N3/c1-2-5(6,7)4-8-3-9-10-4/h3H,2H2,1H3,(H,8,9,10)
InChIKeyXWQKYCAVMXUMEQ-UHFFFAOYSA-N
MW147.13 g/mol
LogP1.31
Rot. Bonds2

About 5-(1,1-difluoropropyl)-1H-1,2,4-triazole

5-(1,1-difluoropropyl)-1H-1,2,4-triazole (PubChem CID 67570870) has the molecular formula C5H7F2N3 and a molecular weight of 147.13 g/mol. Its IUPAC name is 5-(1,1-difluoropropyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(1,1-difluoropropyl)-1H-1,2,4-triazole
PubChem CID67570870
Molecular FormulaC5H7F2N3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name5-(1,1-difluoropropyl)-1H-1,2,4-triazole
SMILESCCC(F)(F)c1ncn[nH]1
InChIInChI=1S/C5H7F2N3/c1-2-5(6,7)4-8-3-9-10-4/h3H,2H2,1H3,(H,8,9,10)
InChIKeyXWQKYCAVMXUMEQ-UHFFFAOYSA-N
XLogP1.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoropropyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(1,1-difluoropropyl)-1H-1,2,4-triazole (CID 67570870) is 5-(1,1-difluoropropyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(1,1-difluoropropyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(1,1-difluoropropyl)-1H-1,2,4-triazole is CCC(F)(F)c1ncn[nH]1.
What is the InChIKey of 5-(1,1-difluoropropyl)-1H-1,2,4-triazole?
The InChIKey is XWQKYCAVMXUMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3/c1-2-5(6,7)4-8-3-9-10-4/h3H,2H2,1H3,(H,8,9,10).
What are the key properties of 5-(1,1-difluoropropyl)-1H-1,2,4-triazole?
5-(1,1-difluoropropyl)-1H-1,2,4-triazole has a molecular weight of 147.13 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoropropyl)-1H-1,2,4-triazole is sourced from PubChem (CID 67570870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).