2,4-difluoro-1,3,5-triazine;ethane

C5H7F2N3 — CID 143475645

IUPAC2,4-difluoro-1,3,5-triazine;ethane
SMILESCC.Fc1ncnc(F)n1
InChIInChI=1S/C3HF2N3.C2H6/c4-2-6-1-7-3(5)8-2;1-2/h1H;1-2H3
InChIKeyFXHSIXDCVQEMLG-UHFFFAOYSA-N
MW147.13 g/mol
LogP1.18
Rot. Bonds

About 2,4-difluoro-1,3,5-triazine;ethane

2,4-difluoro-1,3,5-triazine;ethane (PubChem CID 143475645) has the molecular formula C5H7F2N3 and a molecular weight of 147.13 g/mol. Its IUPAC name is 2,4-difluoro-1,3,5-triazine;ethane.

Molecular Properties

Compound Name2,4-difluoro-1,3,5-triazine;ethane
PubChem CID143475645
Molecular FormulaC5H7F2N3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name2,4-difluoro-1,3,5-triazine;ethane
SMILESCC.Fc1ncnc(F)n1
InChIInChI=1S/C3HF2N3.C2H6/c4-2-6-1-7-3(5)8-2;1-2/h1H;1-2H3
InChIKeyFXHSIXDCVQEMLG-UHFFFAOYSA-N
XLogP1.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1,3,5-triazine;ethane?
The IUPAC name of 2,4-difluoro-1,3,5-triazine;ethane (CID 143475645) is 2,4-difluoro-1,3,5-triazine;ethane.
What is the SMILES notation for 2,4-difluoro-1,3,5-triazine;ethane?
The canonical SMILES for 2,4-difluoro-1,3,5-triazine;ethane is CC.Fc1ncnc(F)n1.
What is the InChIKey of 2,4-difluoro-1,3,5-triazine;ethane?
The InChIKey is FXHSIXDCVQEMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF2N3.C2H6/c4-2-6-1-7-3(5)8-2;1-2/h1H;1-2H3.
What are the key properties of 2,4-difluoro-1,3,5-triazine;ethane?
2,4-difluoro-1,3,5-triazine;ethane has a molecular weight of 147.13 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1,3,5-triazine;ethane is sourced from PubChem (CID 143475645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).