2-fluoro-4-methyloxolane

C5H9FO — CID 57195800

IUPAC2-fluoro-4-methyloxolane
SMILESCC1COC(F)C1
InChIInChI=1S/C5H9FO/c1-4-2-5(6)7-3-4/h4-5H,2-3H2,1H3
InChIKeyFQXFJJSOBSLBMN-UHFFFAOYSA-N
MW104.12 g/mol
LogP1.34
Rot. Bonds

About 2-fluoro-4-methyloxolane

2-fluoro-4-methyloxolane (PubChem CID 57195800) has the molecular formula C5H9FO and a molecular weight of 104.12 g/mol. Its IUPAC name is 2-fluoro-4-methyloxolane.

Molecular Properties

Compound Name2-fluoro-4-methyloxolane
PubChem CID57195800
Molecular FormulaC5H9FO
Molecular Weight104.12 g/mol
Exact Mass104.06
IUPAC Name2-fluoro-4-methyloxolane
SMILESCC1COC(F)C1
InChIInChI=1S/C5H9FO/c1-4-2-5(6)7-3-4/h4-5H,2-3H2,1H3
InChIKeyFQXFJJSOBSLBMN-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyloxolane?
The IUPAC name of 2-fluoro-4-methyloxolane (CID 57195800) is 2-fluoro-4-methyloxolane.
What is the SMILES notation for 2-fluoro-4-methyloxolane?
The canonical SMILES for 2-fluoro-4-methyloxolane is CC1COC(F)C1.
What is the InChIKey of 2-fluoro-4-methyloxolane?
The InChIKey is FQXFJJSOBSLBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO/c1-4-2-5(6)7-3-4/h4-5H,2-3H2,1H3.
What are the key properties of 2-fluoro-4-methyloxolane?
2-fluoro-4-methyloxolane has a molecular weight of 104.12 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyloxolane is sourced from PubChem (CID 57195800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).