2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-fluorobicyclo[2.2.1]heptane

C14H19F7O2 — CID 58205796

IUPAC2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-fluorobicyclo[2.2.1]heptane
SMILESCCOCOC(CC1(F)CC2CCC1C2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H19F7O2/c1-2-22-8-23-12(13(16,17)18,14(19,20)21)7-11(15)6-9-3-4-10(11)5-9/h9-10H,2-8H2,1H3
InChIKeyLGWKYBLRXPKXLV-UHFFFAOYSA-N
MW352.29 g/mol
LogP4.78
Rot. Bonds6

About 2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-fluorobicyclo[2.2.1]heptane

2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-fluorobicyclo[2.2.1]heptane (PubChem CID 58205796) has the molecular formula C14H19F7O2 and a molecular weight of 352.29 g/mol. Its IUPAC name is 2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-fluorobicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-fluorobicyclo[2.2.1]heptane
PubChem CID58205796
Molecular FormulaC14H19F7O2
Molecular Weight352.29 g/mol
Exact Mass352.13
IUPAC Name2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-fluorobicyclo[2.2.1]heptane
SMILESCCOCOC(CC1(F)CC2CCC1C2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H19F7O2/c1-2-22-8-23-12(13(16,17)18,14(19,20)21)7-11(15)6-9-3-4-10(11)5-9/h9-10H,2-8H2,1H3
InChIKeyLGWKYBLRXPKXLV-UHFFFAOYSA-N
XLogP4.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-fluorobicyclo[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-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-fluorobicyclo[2.2.1]heptane?
The IUPAC name of 2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-fluorobicyclo[2.2.1]heptane (CID 58205796) is 2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-fluorobicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-fluorobicyclo[2.2.1]heptane?
The canonical SMILES for 2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-fluorobicyclo[2.2.1]heptane is CCOCOC(CC1(F)CC2CCC1C2)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-fluorobicyclo[2.2.1]heptane?
The InChIKey is LGWKYBLRXPKXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F7O2/c1-2-22-8-23-12(13(16,17)18,14(19,20)21)7-11(15)6-9-3-4-10(11)5-9/h9-10H,2-8H2,1H3.
What are the key properties of 2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-fluorobicyclo[2.2.1]heptane?
2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-fluorobicyclo[2.2.1]heptane has a molecular weight of 352.29 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-fluorobicyclo[2.2.1]heptane is sourced from PubChem (CID 58205796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).