1-fluoro-2-methoxycyclobutane

C5H9FO — CID 166727939

IUPAC1-fluoro-2-methoxycyclobutane
SMILESCOC1CCC1F
InChIInChI=1S/C5H9FO/c1-7-5-3-2-4(5)6/h4-5H,2-3H2,1H3
InChIKeyXEIAXYYOKBQFNU-UHFFFAOYSA-N
MW104.12 g/mol
LogP1.13
Rot. Bonds1

About 1-fluoro-2-methoxycyclobutane

1-fluoro-2-methoxycyclobutane (PubChem CID 166727939) has the molecular formula C5H9FO and a molecular weight of 104.12 g/mol. Its IUPAC name is 1-fluoro-2-methoxycyclobutane.

Molecular Properties

Compound Name1-fluoro-2-methoxycyclobutane
PubChem CID166727939
Molecular FormulaC5H9FO
Molecular Weight104.12 g/mol
Exact Mass104.06
IUPAC Name1-fluoro-2-methoxycyclobutane
SMILESCOC1CCC1F
InChIInChI=1S/C5H9FO/c1-7-5-3-2-4(5)6/h4-5H,2-3H2,1H3
InChIKeyXEIAXYYOKBQFNU-UHFFFAOYSA-N
XLogP1.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.12
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methoxycyclobutane?
The IUPAC name of 1-fluoro-2-methoxycyclobutane (CID 166727939) is 1-fluoro-2-methoxycyclobutane.
What is the SMILES notation for 1-fluoro-2-methoxycyclobutane?
The canonical SMILES for 1-fluoro-2-methoxycyclobutane is COC1CCC1F.
What is the InChIKey of 1-fluoro-2-methoxycyclobutane?
The InChIKey is XEIAXYYOKBQFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO/c1-7-5-3-2-4(5)6/h4-5H,2-3H2,1H3.
What are the key properties of 1-fluoro-2-methoxycyclobutane?
1-fluoro-2-methoxycyclobutane has a molecular weight of 104.12 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methoxycyclobutane is sourced from PubChem (CID 166727939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).