4-fluoro-3,3-dimethyloxane

C7H13FO — CID 122692023

IUPAC4-fluoro-3,3-dimethyloxane
SMILESCC1(C)COCCC1F
InChIInChI=1S/C7H13FO/c1-7(2)5-9-4-3-6(7)8/h6H,3-5H2,1-2H3
InChIKeyBDRDRMLNMXHWDV-UHFFFAOYSA-N
MW132.18 g/mol
LogP1.77
Rot. Bonds

About 4-fluoro-3,3-dimethyloxane

4-fluoro-3,3-dimethyloxane (PubChem CID 122692023) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is 4-fluoro-3,3-dimethyloxane.

Molecular Properties

Compound Name4-fluoro-3,3-dimethyloxane
PubChem CID122692023
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name4-fluoro-3,3-dimethyloxane
SMILESCC1(C)COCCC1F
InChIInChI=1S/C7H13FO/c1-7(2)5-9-4-3-6(7)8/h6H,3-5H2,1-2H3
InChIKeyBDRDRMLNMXHWDV-UHFFFAOYSA-N
XLogP1.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-3,3-dimethyloxane 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 4-fluoro-3,3-dimethyloxane?
The IUPAC name of 4-fluoro-3,3-dimethyloxane (CID 122692023) is 4-fluoro-3,3-dimethyloxane.
What is the SMILES notation for 4-fluoro-3,3-dimethyloxane?
The canonical SMILES for 4-fluoro-3,3-dimethyloxane is CC1(C)COCCC1F.
What is the InChIKey of 4-fluoro-3,3-dimethyloxane?
The InChIKey is BDRDRMLNMXHWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO/c1-7(2)5-9-4-3-6(7)8/h6H,3-5H2,1-2H3.
What are the key properties of 4-fluoro-3,3-dimethyloxane?
4-fluoro-3,3-dimethyloxane has a molecular weight of 132.18 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,3-dimethyloxane is sourced from PubChem (CID 122692023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).