2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-methylpropyl]bicyclo[2.2.1]heptane

C14H23F3O2 — CID 22976669

IUPAC2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-methylpropyl]bicyclo[2.2.1]heptane
SMILESCCOCOC(C)(CC1CC2CCC1C2)C(F)(F)F
InChIInChI=1S/C14H23F3O2/c1-3-18-9-19-13(2,14(15,16)17)8-12-7-10-4-5-11(12)6-10/h10-12H,3-9H2,1-2H3
InChIKeyWTTLFGJUDMRXLC-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.14
Rot. Bonds6

About 2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-methylpropyl]bicyclo[2.2.1]heptane

2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-methylpropyl]bicyclo[2.2.1]heptane (PubChem CID 22976669) has the molecular formula C14H23F3O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-methylpropyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-methylpropyl]bicyclo[2.2.1]heptane
PubChem CID22976669
Molecular FormulaC14H23F3O2
Molecular Weight280.33 g/mol
Exact Mass280.17
IUPAC Name2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-methylpropyl]bicyclo[2.2.1]heptane
SMILESCCOCOC(C)(CC1CC2CCC1C2)C(F)(F)F
InChIInChI=1S/C14H23F3O2/c1-3-18-9-19-13(2,14(15,16)17)8-12-7-10-4-5-11(12)6-10/h10-12H,3-9H2,1-2H3
InChIKeyWTTLFGJUDMRXLC-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.14
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-methylpropyl]bicyclo[2.2.1]heptane?
The IUPAC name of 2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-methylpropyl]bicyclo[2.2.1]heptane (CID 22976669) is 2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-methylpropyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-methylpropyl]bicyclo[2.2.1]heptane?
The canonical SMILES for 2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-methylpropyl]bicyclo[2.2.1]heptane is CCOCOC(C)(CC1CC2CCC1C2)C(F)(F)F.
What is the InChIKey of 2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-methylpropyl]bicyclo[2.2.1]heptane?
The InChIKey is WTTLFGJUDMRXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3O2/c1-3-18-9-19-13(2,14(15,16)17)8-12-7-10-4-5-11(12)6-10/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-methylpropyl]bicyclo[2.2.1]heptane?
2-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-methylpropyl]bicyclo[2.2.1]heptane has a molecular weight of 280.33 g/mol, XLogP of 4.14, 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-methylpropyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 22976669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).