4,5-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazine

C6F9N3 — CID 172848058

IUPAC4,5-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazine
SMILESFc1nnnc(C(F)(C(F)(F)F)C(F)(F)F)c1F
InChIInChI=1S/C6F9N3/c7-1-2(16-18-17-3(1)8)4(9,5(10,11)12)6(13,14)15
InChIKeyXRTCOOSFMKFNTD-UHFFFAOYSA-N
MW285.07 g/mol
LogP2.44
Rot. Bonds1

About 4,5-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazine

4,5-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazine (PubChem CID 172848058) has the molecular formula C6F9N3 and a molecular weight of 285.07 g/mol. Its IUPAC name is 4,5-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazine.

Molecular Properties

Compound Name4,5-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazine
PubChem CID172848058
Molecular FormulaC6F9N3
Molecular Weight285.07 g/mol
Exact Mass284.99
IUPAC Name4,5-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazine
SMILESFc1nnnc(C(F)(C(F)(F)F)C(F)(F)F)c1F
InChIInChI=1S/C6F9N3/c7-1-2(16-18-17-3(1)8)4(9,5(10,11)12)6(13,14)15
InChIKeyXRTCOOSFMKFNTD-UHFFFAOYSA-N
XLogP2.44
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.07
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazine?
The IUPAC name of 4,5-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazine (CID 172848058) is 4,5-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazine.
What is the SMILES notation for 4,5-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazine?
The canonical SMILES for 4,5-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazine is Fc1nnnc(C(F)(C(F)(F)F)C(F)(F)F)c1F.
What is the InChIKey of 4,5-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazine?
The InChIKey is XRTCOOSFMKFNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F9N3/c7-1-2(16-18-17-3(1)8)4(9,5(10,11)12)6(13,14)15.
What are the key properties of 4,5-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazine?
4,5-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazine has a molecular weight of 285.07 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazine is sourced from PubChem (CID 172848058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).