ethane;5-methyl-2-(trifluoromethyl)oxane

C11H23F3O — CID 176690999

IUPACethane;5-methyl-2-(trifluoromethyl)oxane
SMILESCC.CC.CC1CCC(C(F)(F)F)OC1
InChIInChI=1S/C7H11F3O.2C2H6/c1-5-2-3-6(11-4-5)7(8,9)10;2*1-2/h5-6H,2-4H2,1H3;2*1-2H3
InChIKeyXTTHFBPYHITWPB-UHFFFAOYSA-N
MW228.30 g/mol
LogP4.42
Rot. Bonds

About ethane;5-methyl-2-(trifluoromethyl)oxane

ethane;5-methyl-2-(trifluoromethyl)oxane (PubChem CID 176690999) has the molecular formula C11H23F3O and a molecular weight of 228.30 g/mol. Its IUPAC name is ethane;5-methyl-2-(trifluoromethyl)oxane.

Molecular Properties

Compound Nameethane;5-methyl-2-(trifluoromethyl)oxane
PubChem CID176690999
Molecular FormulaC11H23F3O
Molecular Weight228.30 g/mol
Exact Mass228.17
IUPAC Nameethane;5-methyl-2-(trifluoromethyl)oxane
SMILESCC.CC.CC1CCC(C(F)(F)F)OC1
InChIInChI=1S/C7H11F3O.2C2H6/c1-5-2-3-6(11-4-5)7(8,9)10;2*1-2/h5-6H,2-4H2,1H3;2*1-2H3
InChIKeyXTTHFBPYHITWPB-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2-(trifluoromethyl)oxane?
The IUPAC name of ethane;5-methyl-2-(trifluoromethyl)oxane (CID 176690999) is ethane;5-methyl-2-(trifluoromethyl)oxane.
What is the SMILES notation for ethane;5-methyl-2-(trifluoromethyl)oxane?
The canonical SMILES for ethane;5-methyl-2-(trifluoromethyl)oxane is CC.CC.CC1CCC(C(F)(F)F)OC1.
What is the InChIKey of ethane;5-methyl-2-(trifluoromethyl)oxane?
The InChIKey is XTTHFBPYHITWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O.2C2H6/c1-5-2-3-6(11-4-5)7(8,9)10;2*1-2/h5-6H,2-4H2,1H3;2*1-2H3.
What are the key properties of ethane;5-methyl-2-(trifluoromethyl)oxane?
ethane;5-methyl-2-(trifluoromethyl)oxane has a molecular weight of 228.30 g/mol, XLogP of 4.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-(trifluoromethyl)oxane is sourced from PubChem (CID 176690999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).