1-N,1-N,4-N,4-N-tetrafluorocubane-1,4-diamine

C8H6F4N2 — CID 102216195

IUPAC1-N,1-N,4-N,4-N-tetrafluorocubane-1,4-diamine
SMILESFN(F)C12C3C4C1C1C2C3C41N(F)F
InChIInChI=1S/C8H6F4N2/c9-13(10)7-1-2-4(7)6-5(7)3(1)8(2,6)14(11)12/h1-6H
InChIKeyGMHVAPWAGXEZSB-UHFFFAOYSA-N
MW206.14 g/mol
LogP1.37
Rot. Bonds2

About 1-N,1-N,4-N,4-N-tetrafluorocubane-1,4-diamine

1-N,1-N,4-N,4-N-tetrafluorocubane-1,4-diamine (PubChem CID 102216195) has the molecular formula C8H6F4N2 and a molecular weight of 206.14 g/mol. Its IUPAC name is 1-N,1-N,4-N,4-N-tetrafluorocubane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N,4-N,4-N-tetrafluorocubane-1,4-diamine
PubChem CID102216195
Molecular FormulaC8H6F4N2
Molecular Weight206.14 g/mol
Exact Mass206.05
IUPAC Name1-N,1-N,4-N,4-N-tetrafluorocubane-1,4-diamine
SMILESFN(F)C12C3C4C1C1C2C3C41N(F)F
InChIInChI=1S/C8H6F4N2/c9-13(10)7-1-2-4(7)6-5(7)3(1)8(2,6)14(11)12/h1-6H
InChIKeyGMHVAPWAGXEZSB-UHFFFAOYSA-N
XLogP1.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.14
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

nonacyclo[6.4.0.01,6.02,5.02,11.03,8.03,10.04,7.09,12]dodecane
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4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane
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N,N-dimethylbicyclo[1.1.0]butan-1-amine
CID 166476081
2-fluorobicyclo[2.2.1]heptan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N,4-N-tetrafluorocubane-1,4-diamine?
The IUPAC name of 1-N,1-N,4-N,4-N-tetrafluorocubane-1,4-diamine (CID 102216195) is 1-N,1-N,4-N,4-N-tetrafluorocubane-1,4-diamine.
What is the SMILES notation for 1-N,1-N,4-N,4-N-tetrafluorocubane-1,4-diamine?
The canonical SMILES for 1-N,1-N,4-N,4-N-tetrafluorocubane-1,4-diamine is FN(F)C12C3C4C1C1C2C3C41N(F)F.
What is the InChIKey of 1-N,1-N,4-N,4-N-tetrafluorocubane-1,4-diamine?
The InChIKey is GMHVAPWAGXEZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4N2/c9-13(10)7-1-2-4(7)6-5(7)3(1)8(2,6)14(11)12/h1-6H.
What are the key properties of 1-N,1-N,4-N,4-N-tetrafluorocubane-1,4-diamine?
1-N,1-N,4-N,4-N-tetrafluorocubane-1,4-diamine has a molecular weight of 206.14 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N,4-N-tetrafluorocubane-1,4-diamine is sourced from PubChem (CID 102216195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).