5-(1,1-difluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene

C11H16F2O — CID 118594255

IUPAC5-(1,1-difluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESCCC(F)(F)OCC1CC2C=CC1C2
InChIInChI=1S/C11H16F2O/c1-2-11(12,13)14-7-10-6-8-3-4-9(10)5-8/h3-4,8-10H,2,5-7H2,1H3
InChIKeyBLEFRUPWVAXPHM-UHFFFAOYSA-N
MW202.24 g/mol
LogP3.22
Rot. Bonds4

About 5-(1,1-difluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene

5-(1,1-difluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 118594255) has the molecular formula C11H16F2O and a molecular weight of 202.24 g/mol. Its IUPAC name is 5-(1,1-difluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(1,1-difluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID118594255
Molecular FormulaC11H16F2O
Molecular Weight202.24 g/mol
Exact Mass202.12
IUPAC Name5-(1,1-difluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESCCC(F)(F)OCC1CC2C=CC1C2
InChIInChI=1S/C11H16F2O/c1-2-11(12,13)14-7-10-6-8-3-4-9(10)5-8/h3-4,8-10H,2,5-7H2,1H3
InChIKeyBLEFRUPWVAXPHM-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 53.22
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

5,6-Bis(methoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 15474566
5-(Methoxymethyl)norbornene
CID 18400387
5-(Octaoxymethyl)-2-norbornene
CID 86185185
5,6-Bis(pentoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 101391568
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-Fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]bicyclo[2.2.1]hept-2-ene
CID 23405515

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(1,1-difluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene (CID 118594255) is 5-(1,1-difluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(1,1-difluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(1,1-difluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene is CCC(F)(F)OCC1CC2C=CC1C2.
What is the InChIKey of 5-(1,1-difluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is BLEFRUPWVAXPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2O/c1-2-11(12,13)14-7-10-6-8-3-4-9(10)5-8/h3-4,8-10H,2,5-7H2,1H3.
What are the key properties of 5-(1,1-difluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene?
5-(1,1-difluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 202.24 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 118594255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).