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

C11H15F3O — CID 71171150

IUPAC5-(3,3,3-trifluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)CCOCC1CC2C=CC1C2
InChIInChI=1S/C11H15F3O/c12-11(13,14)3-4-15-7-10-6-8-1-2-9(10)5-8/h1-2,8-10H,3-7H2
InChIKeyFBYPMBFIDYSQFW-UHFFFAOYSA-N
MW220.23 g/mol
LogP3.17
Rot. Bonds4

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

5-(3,3,3-trifluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 71171150) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-(3,3,3-trifluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(3,3,3-trifluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID71171150
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name5-(3,3,3-trifluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)CCOCC1CC2C=CC1C2
InChIInChI=1S/C11H15F3O/c12-11(13,14)3-4-15-7-10-6-8-1-2-9(10)5-8/h1-2,8-10H,3-7H2
InChIKeyFBYPMBFIDYSQFW-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,6R)-4,4-difluoro-3-oxatricyclo[4.2.1.02,5]non-7-ene
CID 134928354
(1R,7S)-3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene
CID 134993872
5-(Methoxymethyl)norbornene
CID 18400387
5-(Octaoxymethyl)-2-norbornene
CID 86185185
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
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

Frequently Asked Questions

What is the IUPAC name of 5-(3,3,3-trifluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(3,3,3-trifluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene (CID 71171150) is 5-(3,3,3-trifluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(3,3,3-trifluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(3,3,3-trifluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene is FC(F)(F)CCOCC1CC2C=CC1C2.
What is the InChIKey of 5-(3,3,3-trifluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is FBYPMBFIDYSQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O/c12-11(13,14)3-4-15-7-10-6-8-1-2-9(10)5-8/h1-2,8-10H,3-7H2.
What are the key properties of 5-(3,3,3-trifluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene?
5-(3,3,3-trifluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 220.23 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 71171150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).