3-fluorooxane

C5H9FO — CID 10942361

IUPAC3-fluorooxane
SMILESFC1CCCOC1
InChIInChI=1S/C5H9FO/c6-5-2-1-3-7-4-5/h5H,1-4H2
InChIKeyHROVTGXKYLRLMJ-UHFFFAOYSA-N
MW104.12 g/mol
LogP1.13
Rot. Bonds

About 3-fluorooxane

3-fluorooxane (PubChem CID 10942361) has the molecular formula C5H9FO and a molecular weight of 104.12 g/mol. Its IUPAC name is 3-fluorooxane.

Molecular Properties

Compound Name3-fluorooxane
PubChem CID10942361
Molecular FormulaC5H9FO
Molecular Weight104.12 g/mol
Exact Mass104.06
IUPAC Name3-fluorooxane
SMILESFC1CCCOC1
InChIInChI=1S/C5H9FO/c6-5-2-1-3-7-4-5/h5H,1-4H2
InChIKeyHROVTGXKYLRLMJ-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-fluorooxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tetrahydropyran
CID 8894
2-Fluorooxane
CID 18472016
Triflouro tetrahydropyran
CID 129852685
(2S,3R)-2-fluoro-3-iodooxane
CID 23236907
(2R,3R)-2-fluoro-3-iodooxane
CID 23236908
(5S)-5-fluoro-3,4,5,6-tetrahydro-2H-pyran-6-ylium
CID 134857993
CID 14970672
CID 14970672
Tetrahydro-2h-pyran hydrogen chloride
CID 19792615
3,4,5,6-tetrahydro-2H-pyran-6-ylium
CID 22983066
Tetrahydro-2h-pyran hydrogen fluoride
CID 129657974
2-Fluoro-3-iodooxane
CID 15394945
2H-Pyran, 2,3-difluorotetrahydro-, cis-
CID 71354306

Frequently Asked Questions

What is the IUPAC name of 3-fluorooxane?
The IUPAC name of 3-fluorooxane (CID 10942361) is 3-fluorooxane.
What is the SMILES notation for 3-fluorooxane?
The canonical SMILES for 3-fluorooxane is FC1CCCOC1.
What is the InChIKey of 3-fluorooxane?
The InChIKey is HROVTGXKYLRLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO/c6-5-2-1-3-7-4-5/h5H,1-4H2.
What are the key properties of 3-fluorooxane?
3-fluorooxane has a molecular weight of 104.12 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorooxane is sourced from PubChem (CID 10942361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).