benzene;molecular nitrogen;hydrofluoride

C6H7FN2 — CID 173207506

IUPACbenzene;molecular nitrogen;hydrofluoride
SMILESF.N#N.c1ccccc1
InChIInChI=1S/C6H6.FH.N2/c1-2-4-6-5-3-1;;1-2/h1-6H;1H;
InChIKeyNYHGMFVZHZWHFA-UHFFFAOYSA-N
MW126.13 g/mol
LogP1.87
Rot. Bonds

About benzene;molecular nitrogen;hydrofluoride

benzene;molecular nitrogen;hydrofluoride (PubChem CID 173207506) has the molecular formula C6H7FN2 and a molecular weight of 126.13 g/mol. Its IUPAC name is benzene;molecular nitrogen;hydrofluoride.

Molecular Properties

Compound Namebenzene;molecular nitrogen;hydrofluoride
PubChem CID173207506
Molecular FormulaC6H7FN2
Molecular Weight126.13 g/mol
Exact Mass126.06
IUPAC Namebenzene;molecular nitrogen;hydrofluoride
SMILESF.N#N.c1ccccc1
InChIInChI=1S/C6H6.FH.N2/c1-2-4-6-5-3-1;;1-2/h1-6H;1H;
InChIKeyNYHGMFVZHZWHFA-UHFFFAOYSA-N
XLogP1.87
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 174809235
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CID 172821629
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CID 18003865
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CID 67859568

Frequently Asked Questions

What is the IUPAC name of benzene;molecular nitrogen;hydrofluoride?
The IUPAC name of benzene;molecular nitrogen;hydrofluoride (CID 173207506) is benzene;molecular nitrogen;hydrofluoride.
What is the SMILES notation for benzene;molecular nitrogen;hydrofluoride?
The canonical SMILES for benzene;molecular nitrogen;hydrofluoride is F.N#N.c1ccccc1.
What is the InChIKey of benzene;molecular nitrogen;hydrofluoride?
The InChIKey is NYHGMFVZHZWHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.FH.N2/c1-2-4-6-5-3-1;;1-2/h1-6H;1H;.
What are the key properties of benzene;molecular nitrogen;hydrofluoride?
benzene;molecular nitrogen;hydrofluoride has a molecular weight of 126.13 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;molecular nitrogen;hydrofluoride is sourced from PubChem (CID 173207506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).