3-fluoro-4-methyloxane

C6H11FO — CID 59734978

IUPAC3-fluoro-4-methyloxane
SMILESCC1CCOCC1F
InChIInChI=1S/C6H11FO/c1-5-2-3-8-4-6(5)7/h5-6H,2-4H2,1H3
InChIKeyRRVCUAWRZWARIT-UHFFFAOYSA-N
MW118.15 g/mol
LogP1.38
Rot. Bonds

About 3-fluoro-4-methyloxane

3-fluoro-4-methyloxane (PubChem CID 59734978) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is 3-fluoro-4-methyloxane.

Molecular Properties

Compound Name3-fluoro-4-methyloxane
PubChem CID59734978
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name3-fluoro-4-methyloxane
SMILESCC1CCOCC1F
InChIInChI=1S/C6H11FO/c1-5-2-3-8-4-6(5)7/h5-6H,2-4H2,1H3
InChIKeyRRVCUAWRZWARIT-UHFFFAOYSA-N
XLogP1.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-4-methyloxane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyloxane?
The IUPAC name of 3-fluoro-4-methyloxane (CID 59734978) is 3-fluoro-4-methyloxane.
What is the SMILES notation for 3-fluoro-4-methyloxane?
The canonical SMILES for 3-fluoro-4-methyloxane is CC1CCOCC1F.
What is the InChIKey of 3-fluoro-4-methyloxane?
The InChIKey is RRVCUAWRZWARIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO/c1-5-2-3-8-4-6(5)7/h5-6H,2-4H2,1H3.
What are the key properties of 3-fluoro-4-methyloxane?
3-fluoro-4-methyloxane has a molecular weight of 118.15 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyloxane is sourced from PubChem (CID 59734978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).