4-methyl-2-(trifluoromethyl)oxane

C7H11F3O — CID 129270069

IUPAC4-methyl-2-(trifluoromethyl)oxane
SMILESCC1CCOC(C(F)(F)F)C1
InChIInChI=1S/C7H11F3O/c1-5-2-3-11-6(4-5)7(8,9)10/h5-6H,2-4H2,1H3
InChIKeyZSYLGAVXUJNMRH-UHFFFAOYSA-N
MW168.16 g/mol
LogP2.36
Rot. Bonds

About 4-methyl-2-(trifluoromethyl)oxane

4-methyl-2-(trifluoromethyl)oxane (PubChem CID 129270069) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is 4-methyl-2-(trifluoromethyl)oxane.

Molecular Properties

Compound Name4-methyl-2-(trifluoromethyl)oxane
PubChem CID129270069
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name4-methyl-2-(trifluoromethyl)oxane
SMILESCC1CCOC(C(F)(F)F)C1
InChIInChI=1S/C7H11F3O/c1-5-2-3-11-6(4-5)7(8,9)10/h5-6H,2-4H2,1H3
InChIKeyZSYLGAVXUJNMRH-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(trifluoromethyl)oxane?
The IUPAC name of 4-methyl-2-(trifluoromethyl)oxane (CID 129270069) is 4-methyl-2-(trifluoromethyl)oxane.
What is the SMILES notation for 4-methyl-2-(trifluoromethyl)oxane?
The canonical SMILES for 4-methyl-2-(trifluoromethyl)oxane is CC1CCOC(C(F)(F)F)C1.
What is the InChIKey of 4-methyl-2-(trifluoromethyl)oxane?
The InChIKey is ZSYLGAVXUJNMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O/c1-5-2-3-11-6(4-5)7(8,9)10/h5-6H,2-4H2,1H3.
What are the key properties of 4-methyl-2-(trifluoromethyl)oxane?
4-methyl-2-(trifluoromethyl)oxane has a molecular weight of 168.16 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(trifluoromethyl)oxane is sourced from PubChem (CID 129270069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).