2-methyl-3-(2,2,3,3-tetrafluoro-4-methoxycyclobutyl)oxybicyclo[2.2.1]heptane

C13H18F4O2 — CID 20759712

IUPAC2-methyl-3-(2,2,3,3-tetrafluoro-4-methoxycyclobutyl)oxybicyclo[2.2.1]heptane
SMILESCOC1C(OC2C3CCC(C3)C2C)C(F)(F)C1(F)F
InChIInChI=1S/C13H18F4O2/c1-6-7-3-4-8(5-7)9(6)19-11-10(18-2)12(14,15)13(11,16)17/h6-11H,3-5H2,1-2H3
InChIKeyUXAYIYOTALXTRM-UHFFFAOYSA-N
MW282.28 g/mol
LogP3.11
Rot. Bonds3

About 2-methyl-3-(2,2,3,3-tetrafluoro-4-methoxycyclobutyl)oxybicyclo[2.2.1]heptane

2-methyl-3-(2,2,3,3-tetrafluoro-4-methoxycyclobutyl)oxybicyclo[2.2.1]heptane (PubChem CID 20759712) has the molecular formula C13H18F4O2 and a molecular weight of 282.28 g/mol. Its IUPAC name is 2-methyl-3-(2,2,3,3-tetrafluoro-4-methoxycyclobutyl)oxybicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-methyl-3-(2,2,3,3-tetrafluoro-4-methoxycyclobutyl)oxybicyclo[2.2.1]heptane
PubChem CID20759712
Molecular FormulaC13H18F4O2
Molecular Weight282.28 g/mol
Exact Mass282.12
IUPAC Name2-methyl-3-(2,2,3,3-tetrafluoro-4-methoxycyclobutyl)oxybicyclo[2.2.1]heptane
SMILESCOC1C(OC2C3CCC(C3)C2C)C(F)(F)C1(F)F
InChIInChI=1S/C13H18F4O2/c1-6-7-3-4-8(5-7)9(6)19-11-10(18-2)12(14,15)13(11,16)17/h6-11H,3-5H2,1-2H3
InChIKeyUXAYIYOTALXTRM-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-3-(2,2,3,3-tetrafluoro-4-methoxycyclobutyl)oxybicyclo[2.2.1]heptane with MolForge

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Related Compounds

2-(6-Butan-2-yloxy-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 57676298
1,1,1,3,3,3-Hexafluoro-2-[[6-methyl-5-(1,1,2,2-tetrafluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxymethyl]propan-2-ol
CID 57841687
2-[(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 57841688
5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononoxy)-2,3-dimethylbicyclo[2.2.1]heptane
CID 57940005
2,3-Dimethyl-5-(2,2,3,3,4,4,5,5-octafluoropentoxy)bicyclo[2.2.1]heptane
CID 57940022
2-(6-Butan-2-yloxy-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol
CID 58051830
2-[(2-Methylpropan-2-yl)oxy]-5-(1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptane
CID 58436012
1,1,1,3,3,3-hexafluoro-2-[[(2R)-6-methyl-5-(2,2,3-trifluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxymethyl]propan-2-ol
CID 58679945
1,1,1,3,3,3-Hexafluoro-2-[[6-methyl-6-[2-methyl-2-(trifluoromethyl)butyl]-2-bicyclo[2.2.1]heptanyl]oxymethyl]propan-2-ol
CID 58776759
2-[2-(2-Ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
CID 58900990
3-[(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
CID 59030178
2-(4-Ethyl-2,2,3,3-tetrafluorocyclobutyl)oxy-3-methylbicyclo[2.2.1]heptane
CID 59041443

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,2,3,3-tetrafluoro-4-methoxycyclobutyl)oxybicyclo[2.2.1]heptane?
The IUPAC name of 2-methyl-3-(2,2,3,3-tetrafluoro-4-methoxycyclobutyl)oxybicyclo[2.2.1]heptane (CID 20759712) is 2-methyl-3-(2,2,3,3-tetrafluoro-4-methoxycyclobutyl)oxybicyclo[2.2.1]heptane.
What is the SMILES notation for 2-methyl-3-(2,2,3,3-tetrafluoro-4-methoxycyclobutyl)oxybicyclo[2.2.1]heptane?
The canonical SMILES for 2-methyl-3-(2,2,3,3-tetrafluoro-4-methoxycyclobutyl)oxybicyclo[2.2.1]heptane is COC1C(OC2C3CCC(C3)C2C)C(F)(F)C1(F)F.
What is the InChIKey of 2-methyl-3-(2,2,3,3-tetrafluoro-4-methoxycyclobutyl)oxybicyclo[2.2.1]heptane?
The InChIKey is UXAYIYOTALXTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F4O2/c1-6-7-3-4-8(5-7)9(6)19-11-10(18-2)12(14,15)13(11,16)17/h6-11H,3-5H2,1-2H3.
What are the key properties of 2-methyl-3-(2,2,3,3-tetrafluoro-4-methoxycyclobutyl)oxybicyclo[2.2.1]heptane?
2-methyl-3-(2,2,3,3-tetrafluoro-4-methoxycyclobutyl)oxybicyclo[2.2.1]heptane has a molecular weight of 282.28 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,2,3,3-tetrafluoro-4-methoxycyclobutyl)oxybicyclo[2.2.1]heptane is sourced from PubChem (CID 20759712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).