2,3,3-trifluoro-4-methyl-2-propyloxane

C9H15F3O — CID 158179127

IUPAC2,3,3-trifluoro-4-methyl-2-propyloxane
SMILESCCCC1(F)OCCC(C)C1(F)F
InChIInChI=1S/C9H15F3O/c1-3-5-8(10)9(11,12)7(2)4-6-13-8/h7H,3-6H2,1-2H3
InChIKeyFYJAVMMNUGGQBV-UHFFFAOYSA-N
MW196.21 g/mol
LogP3.14
Rot. Bonds2

About 2,3,3-trifluoro-4-methyl-2-propyloxane

2,3,3-trifluoro-4-methyl-2-propyloxane (PubChem CID 158179127) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is 2,3,3-trifluoro-4-methyl-2-propyloxane.

Molecular Properties

Compound Name2,3,3-trifluoro-4-methyl-2-propyloxane
PubChem CID158179127
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name2,3,3-trifluoro-4-methyl-2-propyloxane
SMILESCCCC1(F)OCCC(C)C1(F)F
InChIInChI=1S/C9H15F3O/c1-3-5-8(10)9(11,12)7(2)4-6-13-8/h7H,3-6H2,1-2H3
InChIKeyFYJAVMMNUGGQBV-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trifluoro-4-methyl-2-propyloxane?
The IUPAC name of 2,3,3-trifluoro-4-methyl-2-propyloxane (CID 158179127) is 2,3,3-trifluoro-4-methyl-2-propyloxane.
What is the SMILES notation for 2,3,3-trifluoro-4-methyl-2-propyloxane?
The canonical SMILES for 2,3,3-trifluoro-4-methyl-2-propyloxane is CCCC1(F)OCCC(C)C1(F)F.
What is the InChIKey of 2,3,3-trifluoro-4-methyl-2-propyloxane?
The InChIKey is FYJAVMMNUGGQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O/c1-3-5-8(10)9(11,12)7(2)4-6-13-8/h7H,3-6H2,1-2H3.
What are the key properties of 2,3,3-trifluoro-4-methyl-2-propyloxane?
2,3,3-trifluoro-4-methyl-2-propyloxane has a molecular weight of 196.21 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trifluoro-4-methyl-2-propyloxane is sourced from PubChem (CID 158179127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).