2-(2,2-difluoro-3-methylidenepentyl)-2,3-difluoro-3-methyloxolane

C11H16F4O — CID 170233223

IUPAC2-(2,2-difluoro-3-methylidenepentyl)-2,3-difluoro-3-methyloxolane
SMILESC=C(CC)C(F)(F)CC1(F)OCCC1(C)F
InChIInChI=1S/C11H16F4O/c1-4-8(2)10(13,14)7-11(15)9(3,12)5-6-16-11/h2,4-7H2,1,3H3
InChIKeyVEKAHSNMGBCKEU-UHFFFAOYSA-N
MW240.24 g/mol
LogP3.79
Rot. Bonds4

About 2-(2,2-difluoro-3-methylidenepentyl)-2,3-difluoro-3-methyloxolane

2-(2,2-difluoro-3-methylidenepentyl)-2,3-difluoro-3-methyloxolane (PubChem CID 170233223) has the molecular formula C11H16F4O and a molecular weight of 240.24 g/mol. Its IUPAC name is 2-(2,2-difluoro-3-methylidenepentyl)-2,3-difluoro-3-methyloxolane.

Molecular Properties

Compound Name2-(2,2-difluoro-3-methylidenepentyl)-2,3-difluoro-3-methyloxolane
PubChem CID170233223
Molecular FormulaC11H16F4O
Molecular Weight240.24 g/mol
Exact Mass240.11
IUPAC Name2-(2,2-difluoro-3-methylidenepentyl)-2,3-difluoro-3-methyloxolane
SMILESC=C(CC)C(F)(F)CC1(F)OCCC1(C)F
InChIInChI=1S/C11H16F4O/c1-4-8(2)10(13,14)7-11(15)9(3,12)5-6-16-11/h2,4-7H2,1,3H3
InChIKeyVEKAHSNMGBCKEU-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2,2-difluoro-3-methylidenepentyl)-2,3-difluoro-3-methyloxolane 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 2-(2,2-difluoro-3-methylidenepentyl)-2,3-difluoro-3-methyloxolane?
The IUPAC name of 2-(2,2-difluoro-3-methylidenepentyl)-2,3-difluoro-3-methyloxolane (CID 170233223) is 2-(2,2-difluoro-3-methylidenepentyl)-2,3-difluoro-3-methyloxolane.
What is the SMILES notation for 2-(2,2-difluoro-3-methylidenepentyl)-2,3-difluoro-3-methyloxolane?
The canonical SMILES for 2-(2,2-difluoro-3-methylidenepentyl)-2,3-difluoro-3-methyloxolane is C=C(CC)C(F)(F)CC1(F)OCCC1(C)F.
What is the InChIKey of 2-(2,2-difluoro-3-methylidenepentyl)-2,3-difluoro-3-methyloxolane?
The InChIKey is VEKAHSNMGBCKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F4O/c1-4-8(2)10(13,14)7-11(15)9(3,12)5-6-16-11/h2,4-7H2,1,3H3.
What are the key properties of 2-(2,2-difluoro-3-methylidenepentyl)-2,3-difluoro-3-methyloxolane?
2-(2,2-difluoro-3-methylidenepentyl)-2,3-difluoro-3-methyloxolane has a molecular weight of 240.24 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-3-methylidenepentyl)-2,3-difluoro-3-methyloxolane is sourced from PubChem (CID 170233223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).