2-[2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane

C16H20F6O2 — CID 20756271

IUPAC2-[2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane
SMILESFC(F)(F)C(CC1CC2C=CC1C2)(OC1CCCCO1)C(F)(F)F
InChIInChI=1S/C16H20F6O2/c17-15(18,19)14(16(20,21)22,24-13-3-1-2-6-23-13)9-12-8-10-4-5-11(12)7-10/h4-5,10-13H,1-3,6-9H2
InChIKeyKJAALRYIMZSCLY-UHFFFAOYSA-N
MW358.32 g/mol
LogP5.00
Rot. Bonds4

About 2-[2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane

2-[2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane (PubChem CID 20756271) has the molecular formula C16H20F6O2 and a molecular weight of 358.32 g/mol. Its IUPAC name is 2-[2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane.

Molecular Properties

Compound Name2-[2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane
PubChem CID20756271
Molecular FormulaC16H20F6O2
Molecular Weight358.32 g/mol
Exact Mass358.14
IUPAC Name2-[2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane
SMILESFC(F)(F)C(CC1CC2C=CC1C2)(OC1CCCCO1)C(F)(F)F
InChIInChI=1S/C16H20F6O2/c17-15(18,19)14(16(20,21)22,24-13-3-1-2-6-23-13)9-12-8-10-4-5-11(12)7-10/h4-5,10-13H,1-3,6-9H2
InChIKeyKJAALRYIMZSCLY-UHFFFAOYSA-N
XLogP5.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[3,3,3-Trifluoro-2-(methoxymethoxy)-2-methylpropyl]bicyclo[2.2.1]hept-2-ene
CID 20813309
5-[3,3,3-Trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-ene
CID 21301221
5-[2-(Ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-ene
CID 21362176
5-[2-(1-Ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-ene
CID 22281044
5-[2-(1-Ethoxyethoxy)-1,1,1-trifluoropropan-2-yl]bicyclo[2.2.1]hept-2-ene
CID 22320018
6-(2-Bicyclo[2.2.1]hept-5-enyl)-5,5-difluoro-2-propyl-4-(trifluoromethyl)-1,3-dioxan-4-ol
CID 23118481
1-[2-(1-Butoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]bicyclo[2.2.1]hept-2-ene
CID 23405305
2-[3-(2-Bicyclo[2.2.1]hept-5-enyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-yl]oxyoxane
CID 23405351
2-[5-(2-Ethenyl-1-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-octadecafluorononan-5-yl]oxyoxane
CID 23405368
5-[2-(Ethoxymethoxy)-1,1,1-trifluoropropan-2-yl]bicyclo[2.2.1]hept-2-ene
CID 23405509
5-[1,1,1,3,3,3-Hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]bicyclo[2.2.1]hept-2-ene
CID 23405514
2-(Ethoxymethoxy)-2-(2-fluorobicyclo[2.2.1]hepta-5-ene-2-yl)-1,1,1,3,3,3-hexafluoropropane
CID 58782385

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane?
The IUPAC name of 2-[2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane (CID 20756271) is 2-[2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane.
What is the SMILES notation for 2-[2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane?
The canonical SMILES for 2-[2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane is FC(F)(F)C(CC1CC2C=CC1C2)(OC1CCCCO1)C(F)(F)F.
What is the InChIKey of 2-[2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane?
The InChIKey is KJAALRYIMZSCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F6O2/c17-15(18,19)14(16(20,21)22,24-13-3-1-2-6-23-13)9-12-8-10-4-5-11(12)7-10/h4-5,10-13H,1-3,6-9H2.
What are the key properties of 2-[2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane?
2-[2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane has a molecular weight of 358.32 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane is sourced from PubChem (CID 20756271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).