2-(4-ethyl-2,2,3,3-tetrafluorocyclobutyl)oxy-3-methylbicyclo[2.2.1]heptane

C14H20F4O — CID 59041443

IUPAC2-(4-ethyl-2,2,3,3-tetrafluorocyclobutyl)oxy-3-methylbicyclo[2.2.1]heptane
SMILESCCC1C(OC2C3CCC(C3)C2C)C(F)(F)C1(F)F
InChIInChI=1S/C14H20F4O/c1-3-10-12(14(17,18)13(10,15)16)19-11-7(2)8-4-5-9(11)6-8/h7-12H,3-6H2,1-2H3
InChIKeyIWTQLHHSMLBAOA-UHFFFAOYSA-N
MW280.31 g/mol
LogP4.12
Rot. Bonds3

About 2-(4-ethyl-2,2,3,3-tetrafluorocyclobutyl)oxy-3-methylbicyclo[2.2.1]heptane

2-(4-ethyl-2,2,3,3-tetrafluorocyclobutyl)oxy-3-methylbicyclo[2.2.1]heptane (PubChem CID 59041443) has the molecular formula C14H20F4O and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-(4-ethyl-2,2,3,3-tetrafluorocyclobutyl)oxy-3-methylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(4-ethyl-2,2,3,3-tetrafluorocyclobutyl)oxy-3-methylbicyclo[2.2.1]heptane
PubChem CID59041443
Molecular FormulaC14H20F4O
Molecular Weight280.31 g/mol
Exact Mass280.15
IUPAC Name2-(4-ethyl-2,2,3,3-tetrafluorocyclobutyl)oxy-3-methylbicyclo[2.2.1]heptane
SMILESCCC1C(OC2C3CCC(C3)C2C)C(F)(F)C1(F)F
InChIInChI=1S/C14H20F4O/c1-3-10-12(14(17,18)13(10,15)16)19-11-7(2)8-4-5-9(11)6-8/h7-12H,3-6H2,1-2H3
InChIKeyIWTQLHHSMLBAOA-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-ethyl-2,2,3,3-tetrafluorocyclobutyl)oxy-3-methylbicyclo[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

Related Compounds

Bicyclo[2.2.1]heptane, 2-ethyl-6-methoxy-
CID 91996442
2,3-Epoxy-5-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)bicyclo[2.2.1]heptane
CID 19013691
6-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)-3-oxatricyclo[3.2.1.02,4]octane
CID 19013694
2,3-Epoxy-5-(perfluorooctyl)bicyclo[2.2.1]heptane
CID 19013695
2,3-Epoxy-5-(perfluorohexyl)bicyclo[2.2.1]heptane
CID 19013696
2-Methyl-3-(2,2,3,3-tetrafluoro-4-methoxycyclobutyl)oxybicyclo[2.2.1]heptane
CID 20759712
2-[(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20873007
4,4-Bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane
CID 21033009
4-Methyl-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane
CID 21033010
2-(6-Butan-2-yloxy-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 57676298
8-Methyl-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane
CID 57760417
7-Methyl-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane
CID 57760487

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,2,3,3-tetrafluorocyclobutyl)oxy-3-methylbicyclo[2.2.1]heptane?
The IUPAC name of 2-(4-ethyl-2,2,3,3-tetrafluorocyclobutyl)oxy-3-methylbicyclo[2.2.1]heptane (CID 59041443) is 2-(4-ethyl-2,2,3,3-tetrafluorocyclobutyl)oxy-3-methylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(4-ethyl-2,2,3,3-tetrafluorocyclobutyl)oxy-3-methylbicyclo[2.2.1]heptane?
The canonical SMILES for 2-(4-ethyl-2,2,3,3-tetrafluorocyclobutyl)oxy-3-methylbicyclo[2.2.1]heptane is CCC1C(OC2C3CCC(C3)C2C)C(F)(F)C1(F)F.
What is the InChIKey of 2-(4-ethyl-2,2,3,3-tetrafluorocyclobutyl)oxy-3-methylbicyclo[2.2.1]heptane?
The InChIKey is IWTQLHHSMLBAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F4O/c1-3-10-12(14(17,18)13(10,15)16)19-11-7(2)8-4-5-9(11)6-8/h7-12H,3-6H2,1-2H3.
What are the key properties of 2-(4-ethyl-2,2,3,3-tetrafluorocyclobutyl)oxy-3-methylbicyclo[2.2.1]heptane?
2-(4-ethyl-2,2,3,3-tetrafluorocyclobutyl)oxy-3-methylbicyclo[2.2.1]heptane has a molecular weight of 280.31 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,2,3,3-tetrafluorocyclobutyl)oxy-3-methylbicyclo[2.2.1]heptane is sourced from PubChem (CID 59041443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).