5-[2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]bicyclo[2.2.1]hept-2-ene

C13H21FO — CID 23405515

IUPAC5-[2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]bicyclo[2.2.1]hept-2-ene
SMILESCC(C)(C)OC(F)CC1CC2C=CC1C2
InChIInChI=1S/C13H21FO/c1-13(2,3)15-12(14)8-11-7-9-4-5-10(11)6-9/h4-5,9-12H,6-8H2,1-3H3
InChIKeyRWVFJPFXBXHQFB-UHFFFAOYSA-N
MW212.31 g/mol
LogP3.70
Rot. Bonds3

About 5-[2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]bicyclo[2.2.1]hept-2-ene

5-[2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]bicyclo[2.2.1]hept-2-ene (PubChem CID 23405515) has the molecular formula C13H21FO and a molecular weight of 212.31 g/mol. Its IUPAC name is 5-[2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-[2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]bicyclo[2.2.1]hept-2-ene
PubChem CID23405515
Molecular FormulaC13H21FO
Molecular Weight212.31 g/mol
Exact Mass212.16
IUPAC Name5-[2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]bicyclo[2.2.1]hept-2-ene
SMILESCC(C)(C)OC(F)CC1CC2C=CC1C2
InChIInChI=1S/C13H21FO/c1-13(2,3)15-12(14)8-11-7-9-4-5-10(11)6-9/h4-5,9-12H,6-8H2,1-3H3
InChIKeyRWVFJPFXBXHQFB-UHFFFAOYSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(Methoxymethyl)norbornene
CID 18400387
5-(Octaoxymethyl)-2-norbornene
CID 86185185
5-[3,3,3-Trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-ene
CID 20743866
5-(3,3,3-Trifluoro-2-methoxypropyl)bicyclo[2.2.1]hept-2-ene
CID 22278113
5-(2,2,2-Trifluoro-1-methoxyethyl)bicyclo[2.2.1]hept-2-ene
CID 22278117
5-(1,1,1,3,3,3-Hexafluoro-2-methoxypropan-2-yl)bicyclo[2.2.1]hept-2-ene
CID 22278118
5-(3,3,3-Trifluoro-2-methoxy-2-methylpropyl)bicyclo[2.2.1]hept-2-ene
CID 22278123
5-(1,1,1-Trifluoro-2-methoxypropan-2-yl)bicyclo[2.2.1]hept-2-ene
CID 22278129
5-[3,3,3-Trifluoro-2-methoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-ene
CID 22278141
5-[2-(1-Ethoxyethoxy)-1,1,1-trifluoropropan-2-yl]bicyclo[2.2.1]hept-2-ene
CID 22320018
5-[2-(Ethoxymethoxy)-1,1,1-trifluoropropan-2-yl]bicyclo[2.2.1]hept-2-ene
CID 23405509
5-[2-Fluoro-2-[(2-methylpropan-2-yl)oxy]propyl]bicyclo[2.2.1]hept-2-ene
CID 23405516

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-[2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]bicyclo[2.2.1]hept-2-ene (CID 23405515) is 5-[2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-[2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-[2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]bicyclo[2.2.1]hept-2-ene is CC(C)(C)OC(F)CC1CC2C=CC1C2.
What is the InChIKey of 5-[2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]bicyclo[2.2.1]hept-2-ene?
The InChIKey is RWVFJPFXBXHQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FO/c1-13(2,3)15-12(14)8-11-7-9-4-5-10(11)6-9/h4-5,9-12H,6-8H2,1-3H3.
What are the key properties of 5-[2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]bicyclo[2.2.1]hept-2-ene?
5-[2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]bicyclo[2.2.1]hept-2-ene has a molecular weight of 212.31 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 23405515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).