10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-oxatricyclo[6.2.1.02,7]undec-4-ene

C18H24F6O3 — CID 22281045

IUPAC10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-oxatricyclo[6.2.1.02,7]undec-4-ene
SMILESCCOC(C)OC(CC1CC2CC1C1OC=CCC21)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H24F6O3/c1-3-25-10(2)27-16(17(19,20)21,18(22,23)24)9-12-7-11-8-14(12)15-13(11)5-4-6-26-15/h4,6,10-15H,3,5,7-9H2,1-2H3
InChIKeySDWPFLCPWXJEKS-UHFFFAOYSA-N
MW402.38 g/mol
LogP5.21
Rot. Bonds6

About 10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-oxatricyclo[6.2.1.02,7]undec-4-ene

10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-oxatricyclo[6.2.1.02,7]undec-4-ene (PubChem CID 22281045) has the molecular formula C18H24F6O3 and a molecular weight of 402.38 g/mol. Its IUPAC name is 10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-oxatricyclo[6.2.1.02,7]undec-4-ene.

Molecular Properties

Compound Name10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-oxatricyclo[6.2.1.02,7]undec-4-ene
PubChem CID22281045
Molecular FormulaC18H24F6O3
Molecular Weight402.38 g/mol
Exact Mass402.16
IUPAC Name10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-oxatricyclo[6.2.1.02,7]undec-4-ene
SMILESCCOC(C)OC(CC1CC2CC1C1OC=CCC21)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H24F6O3/c1-3-25-10(2)27-16(17(19,20)21,18(22,23)24)9-12-7-11-8-14(12)15-13(11)5-4-6-26-15/h4,6,10-15H,3,5,7-9H2,1-2H3
InChIKeySDWPFLCPWXJEKS-UHFFFAOYSA-N
XLogP5.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.38
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-oxatricyclo[6.2.1.02,7]undec-4-ene 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 10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-oxatricyclo[6.2.1.02,7]undec-4-ene?
The IUPAC name of 10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-oxatricyclo[6.2.1.02,7]undec-4-ene (CID 22281045) is 10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-oxatricyclo[6.2.1.02,7]undec-4-ene.
What is the SMILES notation for 10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-oxatricyclo[6.2.1.02,7]undec-4-ene?
The canonical SMILES for 10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-oxatricyclo[6.2.1.02,7]undec-4-ene is CCOC(C)OC(CC1CC2CC1C1OC=CCC21)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-oxatricyclo[6.2.1.02,7]undec-4-ene?
The InChIKey is SDWPFLCPWXJEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F6O3/c1-3-25-10(2)27-16(17(19,20)21,18(22,23)24)9-12-7-11-8-14(12)15-13(11)5-4-6-26-15/h4,6,10-15H,3,5,7-9H2,1-2H3.
What are the key properties of 10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-oxatricyclo[6.2.1.02,7]undec-4-ene?
10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-oxatricyclo[6.2.1.02,7]undec-4-ene has a molecular weight of 402.38 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-oxatricyclo[6.2.1.02,7]undec-4-ene is sourced from PubChem (CID 22281045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).