3,4-dimethyl-6,6-bis(trifluoromethyl)-2,5-dihydrotelluropyran

C9H10F6Te — CID 15519415

IUPAC3,4-dimethyl-6,6-bis(trifluoromethyl)-2,5-dihydrotelluropyran
SMILESCC1=C(C)CC(C(F)(F)F)(C(F)(F)F)[Te]C1
InChIInChI=1S/C9H10F6Te/c1-5-3-7(8(10,11)12,9(13,14)15)16-4-6(5)2/h3-4H2,1-2H3
InChIKeyNGYRDLBTZDSLBR-UHFFFAOYSA-N
MW359.77 g/mol
LogP4.13
Rot. Bonds

About 3,4-dimethyl-6,6-bis(trifluoromethyl)-2,5-dihydrotelluropyran

3,4-dimethyl-6,6-bis(trifluoromethyl)-2,5-dihydrotelluropyran (PubChem CID 15519415) has the molecular formula C9H10F6Te and a molecular weight of 359.77 g/mol. Its IUPAC name is 3,4-dimethyl-6,6-bis(trifluoromethyl)-2,5-dihydrotelluropyran.

Molecular Properties

Compound Name3,4-dimethyl-6,6-bis(trifluoromethyl)-2,5-dihydrotelluropyran
PubChem CID15519415
Molecular FormulaC9H10F6Te
Molecular Weight359.77 g/mol
Exact Mass361.97
IUPAC Name3,4-dimethyl-6,6-bis(trifluoromethyl)-2,5-dihydrotelluropyran
SMILESCC1=C(C)CC(C(F)(F)F)(C(F)(F)F)[Te]C1
InChIInChI=1S/C9H10F6Te/c1-5-3-7(8(10,11)12,9(13,14)15)16-4-6(5)2/h3-4H2,1-2H3
InChIKeyNGYRDLBTZDSLBR-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6,6-bis(trifluoromethyl)-2,5-dihydrotelluropyran?
The IUPAC name of 3,4-dimethyl-6,6-bis(trifluoromethyl)-2,5-dihydrotelluropyran (CID 15519415) is 3,4-dimethyl-6,6-bis(trifluoromethyl)-2,5-dihydrotelluropyran.
What is the SMILES notation for 3,4-dimethyl-6,6-bis(trifluoromethyl)-2,5-dihydrotelluropyran?
The canonical SMILES for 3,4-dimethyl-6,6-bis(trifluoromethyl)-2,5-dihydrotelluropyran is CC1=C(C)CC(C(F)(F)F)(C(F)(F)F)[Te]C1.
What is the InChIKey of 3,4-dimethyl-6,6-bis(trifluoromethyl)-2,5-dihydrotelluropyran?
The InChIKey is NGYRDLBTZDSLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6Te/c1-5-3-7(8(10,11)12,9(13,14)15)16-4-6(5)2/h3-4H2,1-2H3.
What are the key properties of 3,4-dimethyl-6,6-bis(trifluoromethyl)-2,5-dihydrotelluropyran?
3,4-dimethyl-6,6-bis(trifluoromethyl)-2,5-dihydrotelluropyran has a molecular weight of 359.77 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6,6-bis(trifluoromethyl)-2,5-dihydrotelluropyran is sourced from PubChem (CID 15519415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).