5-(2,2,3,3,3-pentafluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene

C11H13F5O — CID 58813233

IUPAC5-(2,2,3,3,3-pentafluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C(F)(F)COCC1CC2C=CC1C2
InChIInChI=1S/C11H13F5O/c12-10(13,11(14,15)16)6-17-5-9-4-7-1-2-8(9)3-7/h1-2,7-9H,3-6H2
InChIKeyALHHMARMNVDEAA-UHFFFAOYSA-N
MW256.21 g/mol
LogP3.41
Rot. Bonds4

About 5-(2,2,3,3,3-pentafluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene

5-(2,2,3,3,3-pentafluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 58813233) has the molecular formula C11H13F5O and a molecular weight of 256.21 g/mol. Its IUPAC name is 5-(2,2,3,3,3-pentafluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(2,2,3,3,3-pentafluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID58813233
Molecular FormulaC11H13F5O
Molecular Weight256.21 g/mol
Exact Mass256.09
IUPAC Name5-(2,2,3,3,3-pentafluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C(F)(F)COCC1CC2C=CC1C2
InChIInChI=1S/C11H13F5O/c12-10(13,11(14,15)16)6-17-5-9-4-7-1-2-8(9)3-7/h1-2,7-9H,3-6H2
InChIKeyALHHMARMNVDEAA-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3,4-Trifluoro-4-(heptafluoropropoxy)tricyclo[4.2.1.0~2,5~]non-7-ene
CID 21134703
(1R,7S)-3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene
CID 134993872
5-(Methoxymethyl)norbornene
CID 18400387
3,3,5,5-Tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene
CID 15537080
3-[(Bicyclo[2.2.1]hept-5-en-2-yl)methoxy]-1,1,1-trifluoro-2-(trifluoromethyl)-2-propanol
CID 18679147
5-[3,3,3-Trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-ene
CID 20743866
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-(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

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,3,3,3-pentafluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(2,2,3,3,3-pentafluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene (CID 58813233) is 5-(2,2,3,3,3-pentafluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(2,2,3,3,3-pentafluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(2,2,3,3,3-pentafluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene is FC(F)(F)C(F)(F)COCC1CC2C=CC1C2.
What is the InChIKey of 5-(2,2,3,3,3-pentafluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is ALHHMARMNVDEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F5O/c12-10(13,11(14,15)16)6-17-5-9-4-7-1-2-8(9)3-7/h1-2,7-9H,3-6H2.
What are the key properties of 5-(2,2,3,3,3-pentafluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene?
5-(2,2,3,3,3-pentafluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 256.21 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,3,3,3-pentafluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 58813233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).