2H-benzotriazole;dihydrofluoride

C6H7F2N3 — CID 175082748

IUPAC2H-benzotriazole;dihydrofluoride
SMILESF.F.c1ccc2n[nH]nc2c1
InChIInChI=1S/C6H5N3.2FH/c1-2-4-6-5(3-1)7-9-8-6;;/h1-4H,(H,7,8,9);2*1H
InChIKeyJEDVSSPRVSHLOZ-UHFFFAOYSA-N
MW159.14 g/mol
LogP1.26
Rot. Bonds

About 2H-benzotriazole;dihydrofluoride

2H-benzotriazole;dihydrofluoride (PubChem CID 175082748) has the molecular formula C6H7F2N3 and a molecular weight of 159.14 g/mol. Its IUPAC name is 2H-benzotriazole;dihydrofluoride.

Molecular Properties

Compound Name2H-benzotriazole;dihydrofluoride
PubChem CID175082748
Molecular FormulaC6H7F2N3
Molecular Weight159.14 g/mol
Exact Mass159.06
IUPAC Name2H-benzotriazole;dihydrofluoride
SMILESF.F.c1ccc2n[nH]nc2c1
InChIInChI=1S/C6H5N3.2FH/c1-2-4-6-5(3-1)7-9-8-6;;/h1-4H,(H,7,8,9);2*1H
InChIKeyJEDVSSPRVSHLOZ-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazole;dihydrofluoride?
The IUPAC name of 2H-benzotriazole;dihydrofluoride (CID 175082748) is 2H-benzotriazole;dihydrofluoride.
What is the SMILES notation for 2H-benzotriazole;dihydrofluoride?
The canonical SMILES for 2H-benzotriazole;dihydrofluoride is F.F.c1ccc2n[nH]nc2c1.
What is the InChIKey of 2H-benzotriazole;dihydrofluoride?
The InChIKey is JEDVSSPRVSHLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3.2FH/c1-2-4-6-5(3-1)7-9-8-6;;/h1-4H,(H,7,8,9);2*1H.
What are the key properties of 2H-benzotriazole;dihydrofluoride?
2H-benzotriazole;dihydrofluoride has a molecular weight of 159.14 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazole;dihydrofluoride is sourced from PubChem (CID 175082748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).