2,2,3-trimethyl-1-(trifluoromethoxy)pentane

C9H17F3O — CID 123832367

IUPAC2,2,3-trimethyl-1-(trifluoromethoxy)pentane
SMILESCCC(C)C(C)(C)COC(F)(F)F
InChIInChI=1S/C9H17F3O/c1-5-7(2)8(3,4)6-13-9(10,11)12/h7H,5-6H2,1-4H3
InChIKeyAWLPBJLWRJPLNE-UHFFFAOYSA-N
MW198.23 g/mol
LogP3.60
Rot. Bonds4

About 2,2,3-trimethyl-1-(trifluoromethoxy)pentane

2,2,3-trimethyl-1-(trifluoromethoxy)pentane (PubChem CID 123832367) has the molecular formula C9H17F3O and a molecular weight of 198.23 g/mol. Its IUPAC name is 2,2,3-trimethyl-1-(trifluoromethoxy)pentane.

Molecular Properties

Compound Name2,2,3-trimethyl-1-(trifluoromethoxy)pentane
PubChem CID123832367
Molecular FormulaC9H17F3O
Molecular Weight198.23 g/mol
Exact Mass198.12
IUPAC Name2,2,3-trimethyl-1-(trifluoromethoxy)pentane
SMILESCCC(C)C(C)(C)COC(F)(F)F
InChIInChI=1S/C9H17F3O/c1-5-7(2)8(3,4)6-13-9(10,11)12/h7H,5-6H2,1-4H3
InChIKeyAWLPBJLWRJPLNE-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-1-(trifluoromethoxy)pentane?
The IUPAC name of 2,2,3-trimethyl-1-(trifluoromethoxy)pentane (CID 123832367) is 2,2,3-trimethyl-1-(trifluoromethoxy)pentane.
What is the SMILES notation for 2,2,3-trimethyl-1-(trifluoromethoxy)pentane?
The canonical SMILES for 2,2,3-trimethyl-1-(trifluoromethoxy)pentane is CCC(C)C(C)(C)COC(F)(F)F.
What is the InChIKey of 2,2,3-trimethyl-1-(trifluoromethoxy)pentane?
The InChIKey is AWLPBJLWRJPLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3O/c1-5-7(2)8(3,4)6-13-9(10,11)12/h7H,5-6H2,1-4H3.
What are the key properties of 2,2,3-trimethyl-1-(trifluoromethoxy)pentane?
2,2,3-trimethyl-1-(trifluoromethoxy)pentane has a molecular weight of 198.23 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-1-(trifluoromethoxy)pentane is sourced from PubChem (CID 123832367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).