3-(1-fluoro-3-methylbutan-2-yl)oxolane

C9H17FO — CID 118303927

IUPAC3-(1-fluoro-3-methylbutan-2-yl)oxolane
SMILESCC(C)C(CF)C1CCOC1
InChIInChI=1S/C9H17FO/c1-7(2)9(5-10)8-3-4-11-6-8/h7-9H,3-6H2,1-2H3
InChIKeyFVDFHEXTFXPIML-UHFFFAOYSA-N
MW160.23 g/mol
LogP2.26
Rot. Bonds3

About 3-(1-fluoro-3-methylbutan-2-yl)oxolane

3-(1-fluoro-3-methylbutan-2-yl)oxolane (PubChem CID 118303927) has the molecular formula C9H17FO and a molecular weight of 160.23 g/mol. Its IUPAC name is 3-(1-fluoro-3-methylbutan-2-yl)oxolane.

Molecular Properties

Compound Name3-(1-fluoro-3-methylbutan-2-yl)oxolane
PubChem CID118303927
Molecular FormulaC9H17FO
Molecular Weight160.23 g/mol
Exact Mass160.13
IUPAC Name3-(1-fluoro-3-methylbutan-2-yl)oxolane
SMILESCC(C)C(CF)C1CCOC1
InChIInChI=1S/C9H17FO/c1-7(2)9(5-10)8-3-4-11-6-8/h7-9H,3-6H2,1-2H3
InChIKeyFVDFHEXTFXPIML-UHFFFAOYSA-N
XLogP2.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.23
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoro-3-methylbutan-2-yl)oxolane?
The IUPAC name of 3-(1-fluoro-3-methylbutan-2-yl)oxolane (CID 118303927) is 3-(1-fluoro-3-methylbutan-2-yl)oxolane.
What is the SMILES notation for 3-(1-fluoro-3-methylbutan-2-yl)oxolane?
The canonical SMILES for 3-(1-fluoro-3-methylbutan-2-yl)oxolane is CC(C)C(CF)C1CCOC1.
What is the InChIKey of 3-(1-fluoro-3-methylbutan-2-yl)oxolane?
The InChIKey is FVDFHEXTFXPIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO/c1-7(2)9(5-10)8-3-4-11-6-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-(1-fluoro-3-methylbutan-2-yl)oxolane?
3-(1-fluoro-3-methylbutan-2-yl)oxolane has a molecular weight of 160.23 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoro-3-methylbutan-2-yl)oxolane is sourced from PubChem (CID 118303927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).