2-chloro-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine

C11ClF18N3 — CID 635941

IUPAC2-chloro-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine
SMILESFC(F)(F)C(c1nc(Cl)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11ClF18N3/c12-3-32-1(4(6(13,14)15,7(16,17)18)8(19,20)21)31-2(33-3)5(9(22,23)24,10(25,26)27)11(28,29)30
InChIKeyGTUIKXHDRVPERQ-UHFFFAOYSA-N
MW551.56 g/mol
LogP6.37
Rot. Bonds2

About 2-chloro-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine

2-chloro-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine (PubChem CID 635941) has the molecular formula C11ClF18N3 and a molecular weight of 551.56 g/mol. Its IUPAC name is 2-chloro-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine
PubChem CID635941
Molecular FormulaC11ClF18N3
Molecular Weight551.56 g/mol
Exact Mass550.95
IUPAC Name2-chloro-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine
SMILESFC(F)(F)C(c1nc(Cl)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11ClF18N3/c12-3-32-1(4(6(13,14)15,7(16,17)18)8(19,20)21)31-2(33-3)5(9(22,23)24,10(25,26)27)11(28,29)30
InChIKeyGTUIKXHDRVPERQ-UHFFFAOYSA-N
XLogP6.37
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.56
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine (CID 635941) is 2-chloro-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine is FC(F)(F)C(c1nc(Cl)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-chloro-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine?
The InChIKey is GTUIKXHDRVPERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11ClF18N3/c12-3-32-1(4(6(13,14)15,7(16,17)18)8(19,20)21)31-2(33-3)5(9(22,23)24,10(25,26)27)11(28,29)30.
What are the key properties of 2-chloro-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine?
2-chloro-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine has a molecular weight of 551.56 g/mol, XLogP of 6.37, 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[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine is sourced from PubChem (CID 635941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).