2,2,3,5,5-pentamethyl-4-(trifluoromethoxy)hexane

C12H23F3O — CID 88936210

IUPAC2,2,3,5,5-pentamethyl-4-(trifluoromethoxy)hexane
SMILESCC(C(OC(F)(F)F)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H23F3O/c1-8(10(2,3)4)9(11(5,6)7)16-12(13,14)15/h8-9H,1-7H3
InChIKeyIBADIPYWFRGUAH-UHFFFAOYSA-N
MW240.31 g/mol
LogP4.62
Rot. Bonds2

About 2,2,3,5,5-pentamethyl-4-(trifluoromethoxy)hexane

2,2,3,5,5-pentamethyl-4-(trifluoromethoxy)hexane (PubChem CID 88936210) has the molecular formula C12H23F3O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2,2,3,5,5-pentamethyl-4-(trifluoromethoxy)hexane.

Molecular Properties

Compound Name2,2,3,5,5-pentamethyl-4-(trifluoromethoxy)hexane
PubChem CID88936210
Molecular FormulaC12H23F3O
Molecular Weight240.31 g/mol
Exact Mass240.17
IUPAC Name2,2,3,5,5-pentamethyl-4-(trifluoromethoxy)hexane
SMILESCC(C(OC(F)(F)F)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H23F3O/c1-8(10(2,3)4)9(11(5,6)7)16-12(13,14)15/h8-9H,1-7H3
InChIKeyIBADIPYWFRGUAH-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,5,5-pentamethyl-4-(trifluoromethoxy)hexane?
The IUPAC name of 2,2,3,5,5-pentamethyl-4-(trifluoromethoxy)hexane (CID 88936210) is 2,2,3,5,5-pentamethyl-4-(trifluoromethoxy)hexane.
What is the SMILES notation for 2,2,3,5,5-pentamethyl-4-(trifluoromethoxy)hexane?
The canonical SMILES for 2,2,3,5,5-pentamethyl-4-(trifluoromethoxy)hexane is CC(C(OC(F)(F)F)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2,2,3,5,5-pentamethyl-4-(trifluoromethoxy)hexane?
The InChIKey is IBADIPYWFRGUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3O/c1-8(10(2,3)4)9(11(5,6)7)16-12(13,14)15/h8-9H,1-7H3.
What are the key properties of 2,2,3,5,5-pentamethyl-4-(trifluoromethoxy)hexane?
2,2,3,5,5-pentamethyl-4-(trifluoromethoxy)hexane has a molecular weight of 240.31 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,5,5-pentamethyl-4-(trifluoromethoxy)hexane is sourced from PubChem (CID 88936210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).