2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]bicyclo[2.2.1]heptane

C14H20F6O2 — CID 21360392

IUPAC2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]bicyclo[2.2.1]heptane
SMILESCCOC(C)OC(C1CC2CCC1C2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H20F6O2/c1-3-21-8(2)22-12(13(15,16)17,14(18,19)20)11-7-9-4-5-10(11)6-9/h8-11H,3-7H2,1-2H3
InChIKeyFABQUEYVZAGCMH-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.69
Rot. Bonds5

About 2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]bicyclo[2.2.1]heptane

2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]bicyclo[2.2.1]heptane (PubChem CID 21360392) has the molecular formula C14H20F6O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]bicyclo[2.2.1]heptane
PubChem CID21360392
Molecular FormulaC14H20F6O2
Molecular Weight334.30 g/mol
Exact Mass334.14
IUPAC Name2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]bicyclo[2.2.1]heptane
SMILESCCOC(C)OC(C1CC2CCC1C2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H20F6O2/c1-3-21-8(2)22-12(13(15,16)17,14(18,19)20)11-7-9-4-5-10(11)6-9/h8-11H,3-7H2,1-2H3
InChIKeyFABQUEYVZAGCMH-UHFFFAOYSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]bicyclo[2.2.1]heptane 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-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]bicyclo[2.2.1]heptane?
The IUPAC name of 2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]bicyclo[2.2.1]heptane (CID 21360392) is 2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]bicyclo[2.2.1]heptane?
The canonical SMILES for 2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]bicyclo[2.2.1]heptane is CCOC(C)OC(C1CC2CCC1C2)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]bicyclo[2.2.1]heptane?
The InChIKey is FABQUEYVZAGCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F6O2/c1-3-21-8(2)22-12(13(15,16)17,14(18,19)20)11-7-9-4-5-10(11)6-9/h8-11H,3-7H2,1-2H3.
What are the key properties of 2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]bicyclo[2.2.1]heptane?
2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]bicyclo[2.2.1]heptane has a molecular weight of 334.30 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 21360392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).