3-fluoro-4-methyloxolane

C5H9FO — CID 123685442

IUPAC3-fluoro-4-methyloxolane
SMILESCC1COCC1F
InChIInChI=1S/C5H9FO/c1-4-2-7-3-5(4)6/h4-5H,2-3H2,1H3
InChIKeyZRXIZUOKVNAXEF-UHFFFAOYSA-N
MW104.12 g/mol
LogP0.99
Rot. Bonds

About 3-fluoro-4-methyloxolane

3-fluoro-4-methyloxolane (PubChem CID 123685442) has the molecular formula C5H9FO and a molecular weight of 104.12 g/mol. Its IUPAC name is 3-fluoro-4-methyloxolane.

Molecular Properties

Compound Name3-fluoro-4-methyloxolane
PubChem CID123685442
Molecular FormulaC5H9FO
Molecular Weight104.12 g/mol
Exact Mass104.06
IUPAC Name3-fluoro-4-methyloxolane
SMILESCC1COCC1F
InChIInChI=1S/C5H9FO/c1-4-2-7-3-5(4)6/h4-5H,2-3H2,1H3
InChIKeyZRXIZUOKVNAXEF-UHFFFAOYSA-N
XLogP0.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.12
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyltetrahydrofuran
CID 98230
(3R)-3-fluoro-3-methyloxolane
CID 169859765
3-Methyl-tetrahydro-furan
CID 7857636
Furan, tetrahydro-3,4-dimethyl-, cis-
CID 641783
3,4-Dimethyltetrahydrofuran
CID 543880
1-Ethoxy-1-fluoro-2-(fluoromethyl)butane
CID 21357107
2-Fluoro-3-(fluoromethyl)oxolane
CID 21357108
2,2,3,3-Tetrafluoro-4-methyloxolane
CID 45090667
3-(Fluoromethyl)oxolane
CID 53866038
2-Fluoro-4-methyloxolane
CID 57195800
3-Ethyl-3-fluorooxolane
CID 59060264
CID 59530168
CID 59530168

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyloxolane?
The IUPAC name of 3-fluoro-4-methyloxolane (CID 123685442) is 3-fluoro-4-methyloxolane.
What is the SMILES notation for 3-fluoro-4-methyloxolane?
The canonical SMILES for 3-fluoro-4-methyloxolane is CC1COCC1F.
What is the InChIKey of 3-fluoro-4-methyloxolane?
The InChIKey is ZRXIZUOKVNAXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO/c1-4-2-7-3-5(4)6/h4-5H,2-3H2,1H3.
What are the key properties of 3-fluoro-4-methyloxolane?
3-fluoro-4-methyloxolane has a molecular weight of 104.12 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyloxolane is sourced from PubChem (CID 123685442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).