2-(fluoromethyl)-2-propoxy-4-(trifluoromethyl)oxolane

C9H14F4O2 — CID 71158926

IUPAC2-(fluoromethyl)-2-propoxy-4-(trifluoromethyl)oxolane
SMILESCCCOC1(CF)CC(C(F)(F)F)CO1
InChIInChI=1S/C9H14F4O2/c1-2-3-14-8(6-10)4-7(5-15-8)9(11,12)13/h7H,2-6H2,1H3
InChIKeyOIRLPVQOUQWTIE-UHFFFAOYSA-N
MW230.20 g/mol
LogP2.68
Rot. Bonds4

About 2-(fluoromethyl)-2-propoxy-4-(trifluoromethyl)oxolane

2-(fluoromethyl)-2-propoxy-4-(trifluoromethyl)oxolane (PubChem CID 71158926) has the molecular formula C9H14F4O2 and a molecular weight of 230.20 g/mol. Its IUPAC name is 2-(fluoromethyl)-2-propoxy-4-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name2-(fluoromethyl)-2-propoxy-4-(trifluoromethyl)oxolane
PubChem CID71158926
Molecular FormulaC9H14F4O2
Molecular Weight230.20 g/mol
Exact Mass230.09
IUPAC Name2-(fluoromethyl)-2-propoxy-4-(trifluoromethyl)oxolane
SMILESCCCOC1(CF)CC(C(F)(F)F)CO1
InChIInChI=1S/C9H14F4O2/c1-2-3-14-8(6-10)4-7(5-15-8)9(11,12)13/h7H,2-6H2,1H3
InChIKeyOIRLPVQOUQWTIE-UHFFFAOYSA-N
XLogP2.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-2-propoxy-4-(trifluoromethyl)oxolane?
The IUPAC name of 2-(fluoromethyl)-2-propoxy-4-(trifluoromethyl)oxolane (CID 71158926) is 2-(fluoromethyl)-2-propoxy-4-(trifluoromethyl)oxolane.
What is the SMILES notation for 2-(fluoromethyl)-2-propoxy-4-(trifluoromethyl)oxolane?
The canonical SMILES for 2-(fluoromethyl)-2-propoxy-4-(trifluoromethyl)oxolane is CCCOC1(CF)CC(C(F)(F)F)CO1.
What is the InChIKey of 2-(fluoromethyl)-2-propoxy-4-(trifluoromethyl)oxolane?
The InChIKey is OIRLPVQOUQWTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4O2/c1-2-3-14-8(6-10)4-7(5-15-8)9(11,12)13/h7H,2-6H2,1H3.
What are the key properties of 2-(fluoromethyl)-2-propoxy-4-(trifluoromethyl)oxolane?
2-(fluoromethyl)-2-propoxy-4-(trifluoromethyl)oxolane has a molecular weight of 230.20 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-2-propoxy-4-(trifluoromethyl)oxolane is sourced from PubChem (CID 71158926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).