2-methyl-2-(2,2,2-trifluoroethoxy)hexane

C9H17F3O — CID 139669690

IUPAC2-methyl-2-(2,2,2-trifluoroethoxy)hexane
SMILESCCCCC(C)(C)OCC(F)(F)F
InChIInChI=1S/C9H17F3O/c1-4-5-6-8(2,3)13-7-9(10,11)12/h4-7H2,1-3H3
InChIKeyHPCKLGDHTHJKKC-UHFFFAOYSA-N
MW198.23 g/mol
LogP3.53
Rot. Bonds5

About 2-methyl-2-(2,2,2-trifluoroethoxy)hexane

2-methyl-2-(2,2,2-trifluoroethoxy)hexane (PubChem CID 139669690) has the molecular formula C9H17F3O and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-methyl-2-(2,2,2-trifluoroethoxy)hexane.

Molecular Properties

Compound Name2-methyl-2-(2,2,2-trifluoroethoxy)hexane
PubChem CID139669690
Molecular FormulaC9H17F3O
Molecular Weight198.23 g/mol
Exact Mass198.12
IUPAC Name2-methyl-2-(2,2,2-trifluoroethoxy)hexane
SMILESCCCCC(C)(C)OCC(F)(F)F
InChIInChI=1S/C9H17F3O/c1-4-5-6-8(2,3)13-7-9(10,11)12/h4-7H2,1-3H3
InChIKeyHPCKLGDHTHJKKC-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2,2,2-trifluoroethoxy)hexane?
The IUPAC name of 2-methyl-2-(2,2,2-trifluoroethoxy)hexane (CID 139669690) is 2-methyl-2-(2,2,2-trifluoroethoxy)hexane.
What is the SMILES notation for 2-methyl-2-(2,2,2-trifluoroethoxy)hexane?
The canonical SMILES for 2-methyl-2-(2,2,2-trifluoroethoxy)hexane is CCCCC(C)(C)OCC(F)(F)F.
What is the InChIKey of 2-methyl-2-(2,2,2-trifluoroethoxy)hexane?
The InChIKey is HPCKLGDHTHJKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3O/c1-4-5-6-8(2,3)13-7-9(10,11)12/h4-7H2,1-3H3.
What are the key properties of 2-methyl-2-(2,2,2-trifluoroethoxy)hexane?
2-methyl-2-(2,2,2-trifluoroethoxy)hexane has a molecular weight of 198.23 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,2,2-trifluoroethoxy)hexane is sourced from PubChem (CID 139669690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).