7-ethenyl-2-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-fluorene

C16H15F3 — CID 163415094

IUPAC7-ethenyl-2-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-fluorene
SMILESC=Cc1ccc2c(c1)CC1=C2CCC(C(F)(F)F)C1
InChIInChI=1S/C16H15F3/c1-2-10-3-5-14-11(7-10)8-12-9-13(16(17,18)19)4-6-15(12)14/h2-3,5,7,13H,1,4,6,8-9H2
InChIKeyADSKQHINQLEMTJ-UHFFFAOYSA-N
MW264.29 g/mol
LogP5.00
Rot. Bonds1

About 7-ethenyl-2-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-fluorene

7-ethenyl-2-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-fluorene (PubChem CID 163415094) has the molecular formula C16H15F3 and a molecular weight of 264.29 g/mol. Its IUPAC name is 7-ethenyl-2-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-fluorene.

Molecular Properties

Compound Name7-ethenyl-2-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-fluorene
PubChem CID163415094
Molecular FormulaC16H15F3
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name7-ethenyl-2-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-fluorene
SMILESC=Cc1ccc2c(c1)CC1=C2CCC(C(F)(F)F)C1
InChIInChI=1S/C16H15F3/c1-2-10-3-5-14-11(7-10)8-12-9-13(16(17,18)19)4-6-15(12)14/h2-3,5,7,13H,1,4,6,8-9H2
InChIKeyADSKQHINQLEMTJ-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.29
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-2-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-fluorene?
The IUPAC name of 7-ethenyl-2-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-fluorene (CID 163415094) is 7-ethenyl-2-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-fluorene.
What is the SMILES notation for 7-ethenyl-2-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-fluorene?
The canonical SMILES for 7-ethenyl-2-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-fluorene is C=Cc1ccc2c(c1)CC1=C2CCC(C(F)(F)F)C1.
What is the InChIKey of 7-ethenyl-2-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-fluorene?
The InChIKey is ADSKQHINQLEMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3/c1-2-10-3-5-14-11(7-10)8-12-9-13(16(17,18)19)4-6-15(12)14/h2-3,5,7,13H,1,4,6,8-9H2.
What are the key properties of 7-ethenyl-2-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-fluorene?
7-ethenyl-2-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-fluorene has a molecular weight of 264.29 g/mol, XLogP of 5.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-2-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-fluorene is sourced from PubChem (CID 163415094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).