5-(difluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene

C9H12F2O — CID 126765891

IUPAC5-(difluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)OCC1CC2C=CC1C2
InChIInChI=1S/C9H12F2O/c10-9(11)12-5-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2
InChIKeyLYLGUDYNBMZQMX-UHFFFAOYSA-N
MW174.19 g/mol
LogP2.44
Rot. Bonds3

About 5-(difluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene

5-(difluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 126765891) has the molecular formula C9H12F2O and a molecular weight of 174.19 g/mol. Its IUPAC name is 5-(difluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(difluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID126765891
Molecular FormulaC9H12F2O
Molecular Weight174.19 g/mol
Exact Mass174.09
IUPAC Name5-(difluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)OCC1CC2C=CC1C2
InChIInChI=1S/C9H12F2O/c10-9(11)12-5-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2
InChIKeyLYLGUDYNBMZQMX-UHFFFAOYSA-N
XLogP2.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 52.44
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

(1R,7S)-3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene
CID 134993872
5,6-Bis(methoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 15474566
5-(Methoxymethyl)norbornene
CID 18400387
3,3,5,5-Tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene
CID 15537080
2-(2-Bicyclo[2.2.1]hept-5-enylmethoxy)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20873005
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
2-Bicyclo[2.2.1]hept-5-enyl(fluoro)methanol
CID 23450548

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(difluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene (CID 126765891) is 5-(difluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(difluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(difluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene is FC(F)OCC1CC2C=CC1C2.
What is the InChIKey of 5-(difluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is LYLGUDYNBMZQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2O/c10-9(11)12-5-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2.
What are the key properties of 5-(difluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene?
5-(difluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 174.19 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 126765891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).