4-[1-(ethoxymethoxy)-1,2,2,2-tetrafluoroethyl]-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol

C16H24F4O3 — CID 58621753

IUPAC4-[1-(ethoxymethoxy)-1,2,2,2-tetrafluoroethyl]-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol
SMILESCCOCOC(F)(C1C(O)C2C3CC(C(C)C3C)C21)C(F)(F)F
InChIInChI=1S/C16H24F4O3/c1-4-22-6-23-15(17,16(18,19)20)13-11-9-5-10(8(3)7(9)2)12(11)14(13)21/h7-14,21H,4-6H2,1-3H3
InChIKeyPGNVAHOSJRIZFF-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.37
Rot. Bonds5

About 4-[1-(ethoxymethoxy)-1,2,2,2-tetrafluoroethyl]-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol

4-[1-(ethoxymethoxy)-1,2,2,2-tetrafluoroethyl]-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol (PubChem CID 58621753) has the molecular formula C16H24F4O3 and a molecular weight of 340.36 g/mol. Its IUPAC name is 4-[1-(ethoxymethoxy)-1,2,2,2-tetrafluoroethyl]-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol.

Molecular Properties

Compound Name4-[1-(ethoxymethoxy)-1,2,2,2-tetrafluoroethyl]-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol
PubChem CID58621753
Molecular FormulaC16H24F4O3
Molecular Weight340.36 g/mol
Exact Mass340.17
IUPAC Name4-[1-(ethoxymethoxy)-1,2,2,2-tetrafluoroethyl]-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol
SMILESCCOCOC(F)(C1C(O)C2C3CC(C(C)C3C)C21)C(F)(F)F
InChIInChI=1S/C16H24F4O3/c1-4-22-6-23-15(17,16(18,19)20)13-11-9-5-10(8(3)7(9)2)12(11)14(13)21/h7-14,21H,4-6H2,1-3H3
InChIKeyPGNVAHOSJRIZFF-UHFFFAOYSA-N
XLogP3.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-[1-(ethoxymethoxy)-1,2,2,2-tetrafluoroethyl]-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol?
The IUPAC name of 4-[1-(ethoxymethoxy)-1,2,2,2-tetrafluoroethyl]-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol (CID 58621753) is 4-[1-(ethoxymethoxy)-1,2,2,2-tetrafluoroethyl]-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol.
What is the SMILES notation for 4-[1-(ethoxymethoxy)-1,2,2,2-tetrafluoroethyl]-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol?
The canonical SMILES for 4-[1-(ethoxymethoxy)-1,2,2,2-tetrafluoroethyl]-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol is CCOCOC(F)(C1C(O)C2C3CC(C(C)C3C)C21)C(F)(F)F.
What is the InChIKey of 4-[1-(ethoxymethoxy)-1,2,2,2-tetrafluoroethyl]-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol?
The InChIKey is PGNVAHOSJRIZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F4O3/c1-4-22-6-23-15(17,16(18,19)20)13-11-9-5-10(8(3)7(9)2)12(11)14(13)21/h7-14,21H,4-6H2,1-3H3.
What are the key properties of 4-[1-(ethoxymethoxy)-1,2,2,2-tetrafluoroethyl]-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol?
4-[1-(ethoxymethoxy)-1,2,2,2-tetrafluoroethyl]-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol has a molecular weight of 340.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(ethoxymethoxy)-1,2,2,2-tetrafluoroethyl]-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol is sourced from PubChem (CID 58621753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).