2-chloro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine

C7ClF10N3 — CID 122487872

IUPAC2-chloro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine
SMILESFC(F)(F)C(F)(F)c1nc(Cl)nc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C7ClF10N3/c8-3-20-1(4(9,10)6(13,14)15)19-2(21-3)5(11,12)7(16,17)18
InChIKeyZAYVYRVPBPMAOX-UHFFFAOYSA-N
MW351.53 g/mol
LogP3.83
Rot. Bonds2

About 2-chloro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine

2-chloro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine (PubChem CID 122487872) has the molecular formula C7ClF10N3 and a molecular weight of 351.53 g/mol. Its IUPAC name is 2-chloro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine
PubChem CID122487872
Molecular FormulaC7ClF10N3
Molecular Weight351.53 g/mol
Exact Mass350.96
IUPAC Name2-chloro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine
SMILESFC(F)(F)C(F)(F)c1nc(Cl)nc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C7ClF10N3/c8-3-20-1(4(9,10)6(13,14)15)19-2(21-3)5(11,12)7(16,17)18
InChIKeyZAYVYRVPBPMAOX-UHFFFAOYSA-N
XLogP3.83
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.53
LogP ≤ 53.83
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

2-fluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine
CID 23233407
3-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole
CID 104632896
4,6,8-trichloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline
CID 63086208
2,4-bis(1,1,2,2,2-pentafluoroethyl)pyrimidine
CID 91802215
4-chloro-6-(1,1-difluoroethyl)-1,3,5-triazin-2-amine
CID 119082838
8-bromo-4-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline
CID 114590811
6-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine
CID 64983527
2,4,6-tris(1,1,2,2,3,3,4,4,5,5-decafluoro-5-iodopentyl)-1,3,5-triazine
CID 10931235
5-(1,1,2,2,2-pentafluoroethyl)-2H-tetrazole
CID 14591043
6-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 24975039
2-fluoro-5-(1,1,2,2,2-pentafluoroethyl)tetrazole
CID 87665441
2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 87219565

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine (CID 122487872) is 2-chloro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine is FC(F)(F)C(F)(F)c1nc(Cl)nc(C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 2-chloro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine?
The InChIKey is ZAYVYRVPBPMAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7ClF10N3/c8-3-20-1(4(9,10)6(13,14)15)19-2(21-3)5(11,12)7(16,17)18.
What are the key properties of 2-chloro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine?
2-chloro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine has a molecular weight of 351.53 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine is sourced from PubChem (CID 122487872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).