7-fluoro-7-(trifluoromethyl)bicyclo[3.2.0]hept-2-en-6-one

C8H6F4O — CID 134988689

IUPAC7-fluoro-7-(trifluoromethyl)bicyclo[3.2.0]hept-2-en-6-one
SMILESO=C1C2CC=CC2C1(F)C(F)(F)F
InChIInChI=1S/C8H6F4O/c9-7(8(10,11)12)5-3-1-2-4(5)6(7)13/h1,3-5H,2H2
InChIKeyRXTVCYCRDJOEEE-UHFFFAOYSA-N
MW194.13 g/mol
LogP2.03
Rot. Bonds

About 7-fluoro-7-(trifluoromethyl)bicyclo[3.2.0]hept-2-en-6-one

7-fluoro-7-(trifluoromethyl)bicyclo[3.2.0]hept-2-en-6-one (PubChem CID 134988689) has the molecular formula C8H6F4O and a molecular weight of 194.13 g/mol. Its IUPAC name is 7-fluoro-7-(trifluoromethyl)bicyclo[3.2.0]hept-2-en-6-one.

Molecular Properties

Compound Name7-fluoro-7-(trifluoromethyl)bicyclo[3.2.0]hept-2-en-6-one
PubChem CID134988689
Molecular FormulaC8H6F4O
Molecular Weight194.13 g/mol
Exact Mass194.04
IUPAC Name7-fluoro-7-(trifluoromethyl)bicyclo[3.2.0]hept-2-en-6-one
SMILESO=C1C2CC=CC2C1(F)C(F)(F)F
InChIInChI=1S/C8H6F4O/c9-7(8(10,11)12)5-3-1-2-4(5)6(7)13/h1,3-5H,2H2
InChIKeyRXTVCYCRDJOEEE-UHFFFAOYSA-N
XLogP2.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 52.03
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

7-fluoro-7-methylbicyclo[3.2.0]hept-2-en-6-one
CID 134919860
(1S,5R,7S)-7-benzyl-7-phenylsulfanylbicyclo[3.2.0]hept-2-en-6-one
CID 101065560
3a,4,7,7a-tetrahydroisoindole-1,3-dione;ethane
CID 90971998
(3aS,4R,7aR)-4-hydroxy-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 124518254
(1S,5R)-8-hydroxy-6-azabicyclo[3.2.1]oct-3-en-7-one
CID 101030996
(1R,5S,7S)-7-chlorobicyclo[3.2.0]hept-2-en-6-one
CID 12951165
(7R)-7-methylbicyclo[3.2.0]hept-2-en-6-one
CID 142417985
(3aR,6aS)-6,6a-dihydro-3aH-cyclopenta[c]furan-1,3-dione
CID 102109216
ethyl 2-[(1S,5R)-7-oxo-6-phenyl-6-bicyclo[3.2.0]hept-3-enyl]-2-phenylacetate
CID 10020523
1a,2a,3,6,6a,7a-hexahydronaphtho[2,3-b]oxirene-2,7-dione
CID 130028036
(1R,6S,8S)-8-cyclopropyl-8-methoxybicyclo[4.2.0]oct-2-en-7-one
CID 131871729
(1R,5S,6R)-6-chlorobicyclo[3.1.0]hex-2-ene-6-carbaldehyde
CID 130993235

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-7-(trifluoromethyl)bicyclo[3.2.0]hept-2-en-6-one?
The IUPAC name of 7-fluoro-7-(trifluoromethyl)bicyclo[3.2.0]hept-2-en-6-one (CID 134988689) is 7-fluoro-7-(trifluoromethyl)bicyclo[3.2.0]hept-2-en-6-one.
What is the SMILES notation for 7-fluoro-7-(trifluoromethyl)bicyclo[3.2.0]hept-2-en-6-one?
The canonical SMILES for 7-fluoro-7-(trifluoromethyl)bicyclo[3.2.0]hept-2-en-6-one is O=C1C2CC=CC2C1(F)C(F)(F)F.
What is the InChIKey of 7-fluoro-7-(trifluoromethyl)bicyclo[3.2.0]hept-2-en-6-one?
The InChIKey is RXTVCYCRDJOEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4O/c9-7(8(10,11)12)5-3-1-2-4(5)6(7)13/h1,3-5H,2H2.
What are the key properties of 7-fluoro-7-(trifluoromethyl)bicyclo[3.2.0]hept-2-en-6-one?
7-fluoro-7-(trifluoromethyl)bicyclo[3.2.0]hept-2-en-6-one has a molecular weight of 194.13 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-7-(trifluoromethyl)bicyclo[3.2.0]hept-2-en-6-one is sourced from PubChem (CID 134988689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).