2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyloxane

C14H14F14O2 — CID 59010350

IUPAC2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyloxane
SMILESCCOC1(C(F)(C(F)(F)F)C(F)(F)F)CC(C(F)(F)C(F)(F)C(F)(F)F)CC(C)O1
InChIInChI=1S/C14H14F14O2/c1-3-29-8(10(17,12(20,21)22)13(23,24)25)5-7(4-6(2)30-8)9(15,16)11(18,19)14(26,27)28/h6-7H,3-5H2,1-2H3
InChIKeyOQIQNDQEUNMSFJ-UHFFFAOYSA-N
MW480.24 g/mol
LogP6.20
Rot. Bonds5

About 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyloxane

2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyloxane (PubChem CID 59010350) has the molecular formula C14H14F14O2 and a molecular weight of 480.24 g/mol. Its IUPAC name is 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyloxane.

Molecular Properties

Compound Name2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyloxane
PubChem CID59010350
Molecular FormulaC14H14F14O2
Molecular Weight480.24 g/mol
Exact Mass480.08
IUPAC Name2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyloxane
SMILESCCOC1(C(F)(C(F)(F)F)C(F)(F)F)CC(C(F)(F)C(F)(F)C(F)(F)F)CC(C)O1
InChIInChI=1S/C14H14F14O2/c1-3-29-8(10(17,12(20,21)22)13(23,24)25)5-7(4-6(2)30-8)9(15,16)11(18,19)14(26,27)28/h6-7H,3-5H2,1-2H3
InChIKeyOQIQNDQEUNMSFJ-UHFFFAOYSA-N
XLogP6.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.24
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-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 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyloxane?
The IUPAC name of 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyloxane (CID 59010350) is 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyloxane.
What is the SMILES notation for 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyloxane?
The canonical SMILES for 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyloxane is CCOC1(C(F)(C(F)(F)F)C(F)(F)F)CC(C(F)(F)C(F)(F)C(F)(F)F)CC(C)O1.
What is the InChIKey of 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyloxane?
The InChIKey is OQIQNDQEUNMSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F14O2/c1-3-29-8(10(17,12(20,21)22)13(23,24)25)5-7(4-6(2)30-8)9(15,16)11(18,19)14(26,27)28/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyloxane?
2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyloxane has a molecular weight of 480.24 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyloxane is sourced from PubChem (CID 59010350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).