8-fluoro-8-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)tricyclo[4.2.0.01,3]oct-4-ene

C12H11F7 — CID 126626968

IUPAC8-fluoro-8-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)tricyclo[4.2.0.01,3]oct-4-ene
SMILESCC(C(F)(F)F)(C(F)(F)F)C1(F)CC2C=CC3CC321
InChIInChI=1S/C12H11F7/c1-8(11(14,15)16,12(17,18)19)10(13)5-7-3-2-6-4-9(6,7)10/h2-3,6-7H,4-5H2,1H3
InChIKeyPKZAXGZKOFNRKH-UHFFFAOYSA-N
MW288.21 g/mol
LogP4.42
Rot. Bonds1

About 8-fluoro-8-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)tricyclo[4.2.0.01,3]oct-4-ene

8-fluoro-8-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)tricyclo[4.2.0.01,3]oct-4-ene (PubChem CID 126626968) has the molecular formula C12H11F7 and a molecular weight of 288.21 g/mol. Its IUPAC name is 8-fluoro-8-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)tricyclo[4.2.0.01,3]oct-4-ene.

Molecular Properties

Compound Name8-fluoro-8-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)tricyclo[4.2.0.01,3]oct-4-ene
PubChem CID126626968
Molecular FormulaC12H11F7
Molecular Weight288.21 g/mol
Exact Mass288.07
IUPAC Name8-fluoro-8-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)tricyclo[4.2.0.01,3]oct-4-ene
SMILESCC(C(F)(F)F)(C(F)(F)F)C1(F)CC2C=CC3CC321
InChIInChI=1S/C12H11F7/c1-8(11(14,15)16,12(17,18)19)10(13)5-7-3-2-6-4-9(6,7)10/h2-3,6-7H,4-5H2,1H3
InChIKeyPKZAXGZKOFNRKH-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,5-difluoro-6-methyl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 20617084
(1R)-2-tert-butyl-4,4-difluorocyclopentan-1-ol
CID 167145522
tert-butyl 3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 58818750
2,2,3,5-tetrafluoro-3-(trifluoromethyl)thiolane
CID 87128815
trimethyl-[[7-(trifluoromethyl)-7-bicyclo[2.2.1]hept-2-enyl]oxy]silane
CID 85107343
3-tert-butyl-3-(trifluoromethyl)oxetane
CID 116875849
[(1R,4S)-7-(trifluoromethyl)-7-bicyclo[2.2.1]hept-2-enyl] methanesulfonate
CID 10083720
tert-butyl [1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-yl] carbonate
CID 58818747
methyl (1S,2S,4S)-2-(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 132552801
3,5-dimethyl-5-(trifluoromethyl)cyclohexene
CID 89133608
2-(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 14806086
2,2-difluoropropane;ethane
CID 144524394

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-8-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)tricyclo[4.2.0.01,3]oct-4-ene?
The IUPAC name of 8-fluoro-8-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)tricyclo[4.2.0.01,3]oct-4-ene (CID 126626968) is 8-fluoro-8-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)tricyclo[4.2.0.01,3]oct-4-ene.
What is the SMILES notation for 8-fluoro-8-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)tricyclo[4.2.0.01,3]oct-4-ene?
The canonical SMILES for 8-fluoro-8-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)tricyclo[4.2.0.01,3]oct-4-ene is CC(C(F)(F)F)(C(F)(F)F)C1(F)CC2C=CC3CC321.
What is the InChIKey of 8-fluoro-8-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)tricyclo[4.2.0.01,3]oct-4-ene?
The InChIKey is PKZAXGZKOFNRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F7/c1-8(11(14,15)16,12(17,18)19)10(13)5-7-3-2-6-4-9(6,7)10/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 8-fluoro-8-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)tricyclo[4.2.0.01,3]oct-4-ene?
8-fluoro-8-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)tricyclo[4.2.0.01,3]oct-4-ene has a molecular weight of 288.21 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-8-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)tricyclo[4.2.0.01,3]oct-4-ene is sourced from PubChem (CID 126626968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).