4-(3,3-difluoropropyl)-2H-triazole

C5H7F2N3 — CID 57145392

IUPAC4-(3,3-difluoropropyl)-2H-triazole
SMILESFC(F)CCc1cn[nH]n1
InChIInChI=1S/C5H7F2N3/c6-5(7)2-1-4-3-8-10-9-4/h3,5H,1-2H2,(H,8,9,10)
InChIKeyUBNFARAUQPFNKV-UHFFFAOYSA-N
MW147.13 g/mol
LogP1.00
Rot. Bonds3

About 4-(3,3-difluoropropyl)-2H-triazole

4-(3,3-difluoropropyl)-2H-triazole (PubChem CID 57145392) has the molecular formula C5H7F2N3 and a molecular weight of 147.13 g/mol. Its IUPAC name is 4-(3,3-difluoropropyl)-2H-triazole.

Molecular Properties

Compound Name4-(3,3-difluoropropyl)-2H-triazole
PubChem CID57145392
Molecular FormulaC5H7F2N3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name4-(3,3-difluoropropyl)-2H-triazole
SMILESFC(F)CCc1cn[nH]n1
InChIInChI=1S/C5H7F2N3/c6-5(7)2-1-4-3-8-10-9-4/h3,5H,1-2H2,(H,8,9,10)
InChIKeyUBNFARAUQPFNKV-UHFFFAOYSA-N
XLogP1.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropropyl)-2H-triazole?
The IUPAC name of 4-(3,3-difluoropropyl)-2H-triazole (CID 57145392) is 4-(3,3-difluoropropyl)-2H-triazole.
What is the SMILES notation for 4-(3,3-difluoropropyl)-2H-triazole?
The canonical SMILES for 4-(3,3-difluoropropyl)-2H-triazole is FC(F)CCc1cn[nH]n1.
What is the InChIKey of 4-(3,3-difluoropropyl)-2H-triazole?
The InChIKey is UBNFARAUQPFNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3/c6-5(7)2-1-4-3-8-10-9-4/h3,5H,1-2H2,(H,8,9,10).
What are the key properties of 4-(3,3-difluoropropyl)-2H-triazole?
4-(3,3-difluoropropyl)-2H-triazole has a molecular weight of 147.13 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropropyl)-2H-triazole is sourced from PubChem (CID 57145392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).