benzene-1,2-diamine;tetrahydrofluoride

C6H12F4N2 — CID 174941051

IUPACbenzene-1,2-diamine;tetrahydrofluoride
SMILESF.F.F.F.Nc1ccccc1N
InChIInChI=1S/C6H8N2.4FH/c7-5-3-1-2-4-6(5)8;;;;/h1-4H,7-8H2;4*1H
InChIKeyRORVODXLEHCBON-UHFFFAOYSA-N
MW188.17 g/mol
LogP1.46
Rot. Bonds

About benzene-1,2-diamine;tetrahydrofluoride

benzene-1,2-diamine;tetrahydrofluoride (PubChem CID 174941051) has the molecular formula C6H12F4N2 and a molecular weight of 188.17 g/mol. Its IUPAC name is benzene-1,2-diamine;tetrahydrofluoride.

Molecular Properties

Compound Namebenzene-1,2-diamine;tetrahydrofluoride
PubChem CID174941051
Molecular FormulaC6H12F4N2
Molecular Weight188.17 g/mol
Exact Mass188.09
IUPAC Namebenzene-1,2-diamine;tetrahydrofluoride
SMILESF.F.F.F.Nc1ccccc1N
InChIInChI=1S/C6H8N2.4FH/c7-5-3-1-2-4-6(5)8;;;;/h1-4H,7-8H2;4*1H
InChIKeyRORVODXLEHCBON-UHFFFAOYSA-N
XLogP1.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diamine;tetrahydrofluoride?
The IUPAC name of benzene-1,2-diamine;tetrahydrofluoride (CID 174941051) is benzene-1,2-diamine;tetrahydrofluoride.
What is the SMILES notation for benzene-1,2-diamine;tetrahydrofluoride?
The canonical SMILES for benzene-1,2-diamine;tetrahydrofluoride is F.F.F.F.Nc1ccccc1N.
What is the InChIKey of benzene-1,2-diamine;tetrahydrofluoride?
The InChIKey is RORVODXLEHCBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.4FH/c7-5-3-1-2-4-6(5)8;;;;/h1-4H,7-8H2;4*1H.
What are the key properties of benzene-1,2-diamine;tetrahydrofluoride?
benzene-1,2-diamine;tetrahydrofluoride has a molecular weight of 188.17 g/mol, XLogP of 1.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diamine;tetrahydrofluoride is sourced from PubChem (CID 174941051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).