1-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,2,2-trifluoroethanone

C10H7F3O — CID 141450702

IUPAC1-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,2,2-trifluoroethanone
SMILESO=C(c1cccc2c1CC2)C(F)(F)F
InChIInChI=1S/C10H7F3O/c11-10(12,13)9(14)8-3-1-2-6-4-5-7(6)8/h1-3H,4-5H2
InChIKeyWQPONQXMRXHASG-UHFFFAOYSA-N
MW200.16 g/mol
LogP2.53
Rot. Bonds1

About 1-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,2,2-trifluoroethanone

1-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,2,2-trifluoroethanone (PubChem CID 141450702) has the molecular formula C10H7F3O and a molecular weight of 200.16 g/mol. Its IUPAC name is 1-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,2,2-trifluoroethanone
PubChem CID141450702
Molecular FormulaC10H7F3O
Molecular Weight200.16 g/mol
Exact Mass200.04
IUPAC Name1-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,2,2-trifluoroethanone
SMILESO=C(c1cccc2c1CC2)C(F)(F)F
InChIInChI=1S/C10H7F3O/c11-10(12,13)9(14)8-3-1-2-6-4-5-7(6)8/h1-3H,4-5H2
InChIKeyWQPONQXMRXHASG-UHFFFAOYSA-N
XLogP2.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,2,2-trifluoroethanone (CID 141450702) is 1-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,2,2-trifluoroethanone is O=C(c1cccc2c1CC2)C(F)(F)F.
What is the InChIKey of 1-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,2,2-trifluoroethanone?
The InChIKey is WQPONQXMRXHASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O/c11-10(12,13)9(14)8-3-1-2-6-4-5-7(6)8/h1-3H,4-5H2.
What are the key properties of 1-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,2,2-trifluoroethanone?
1-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,2,2-trifluoroethanone has a molecular weight of 200.16 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 141450702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).