bis(1,1,1,2,2,2-hexafluoroethane);1,3,5-triazine

C7H3F12N3 — CID 175187145

IUPACbis(1,1,1,2,2,2-hexafluoroethane);1,3,5-triazine
SMILESFC(F)(F)C(F)(F)F.FC(F)(F)C(F)(F)F.c1ncncn1
InChIInChI=1S/C3H3N3.2C2F6/c1-4-2-6-3-5-1;2*3-1(4,5)2(6,7)8/h1-3H;;
InChIKeyPDUCLHHZXOCAJG-UHFFFAOYSA-N
MW357.10 g/mol
LogP4.09
Rot. Bonds

About bis(1,1,1,2,2,2-hexafluoroethane);1,3,5-triazine

bis(1,1,1,2,2,2-hexafluoroethane);1,3,5-triazine (PubChem CID 175187145) has the molecular formula C7H3F12N3 and a molecular weight of 357.10 g/mol. Its IUPAC name is bis(1,1,1,2,2,2-hexafluoroethane);1,3,5-triazine.

Molecular Properties

Compound Namebis(1,1,1,2,2,2-hexafluoroethane);1,3,5-triazine
PubChem CID175187145
Molecular FormulaC7H3F12N3
Molecular Weight357.10 g/mol
Exact Mass357.01
IUPAC Namebis(1,1,1,2,2,2-hexafluoroethane);1,3,5-triazine
SMILESFC(F)(F)C(F)(F)F.FC(F)(F)C(F)(F)F.c1ncncn1
InChIInChI=1S/C3H3N3.2C2F6/c1-4-2-6-3-5-1;2*3-1(4,5)2(6,7)8/h1-3H;;
InChIKeyPDUCLHHZXOCAJG-UHFFFAOYSA-N
XLogP4.09
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.10
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 19104342
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CID 19104346
CID 19104346
CID 22718958
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CID 70378207
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CID 91351378
CID 91351378
CID 158548573
CID 158548573
CID 141265768
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CID 143475645
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CID 161487409
CID 161487409

Frequently Asked Questions

What is the IUPAC name of bis(1,1,1,2,2,2-hexafluoroethane);1,3,5-triazine?
The IUPAC name of bis(1,1,1,2,2,2-hexafluoroethane);1,3,5-triazine (CID 175187145) is bis(1,1,1,2,2,2-hexafluoroethane);1,3,5-triazine.
What is the SMILES notation for bis(1,1,1,2,2,2-hexafluoroethane);1,3,5-triazine?
The canonical SMILES for bis(1,1,1,2,2,2-hexafluoroethane);1,3,5-triazine is FC(F)(F)C(F)(F)F.FC(F)(F)C(F)(F)F.c1ncncn1.
What is the InChIKey of bis(1,1,1,2,2,2-hexafluoroethane);1,3,5-triazine?
The InChIKey is PDUCLHHZXOCAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.2C2F6/c1-4-2-6-3-5-1;2*3-1(4,5)2(6,7)8/h1-3H;;.
What are the key properties of bis(1,1,1,2,2,2-hexafluoroethane);1,3,5-triazine?
bis(1,1,1,2,2,2-hexafluoroethane);1,3,5-triazine has a molecular weight of 357.10 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,1,2,2,2-hexafluoroethane);1,3,5-triazine is sourced from PubChem (CID 175187145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).