1,2,3,4,5,6,7-heptafluoro-5-propan-2-yl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene

C11H8F10 — CID 87656886

IUPAC1,2,3,4,5,6,7-heptafluoro-5-propan-2-yl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
SMILESCC(C)C1(F)C2(F)C(F)=C(F)C(F)(C2F)C1(F)C(F)(F)F
InChIInChI=1S/C11H8F10/c1-3(2)9(17)7(15)4(12)5(13)8(16,6(7)14)10(9,18)11(19,20)21/h3,6H,1-2H3
InChIKeyGDDKBBDMXJLHBG-UHFFFAOYSA-N
MW330.17 g/mol
LogP4.55
Rot. Bonds1

About 1,2,3,4,5,6,7-heptafluoro-5-propan-2-yl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene

1,2,3,4,5,6,7-heptafluoro-5-propan-2-yl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 87656886) has the molecular formula C11H8F10 and a molecular weight of 330.17 g/mol. Its IUPAC name is 1,2,3,4,5,6,7-heptafluoro-5-propan-2-yl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1,2,3,4,5,6,7-heptafluoro-5-propan-2-yl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID87656886
Molecular FormulaC11H8F10
Molecular Weight330.17 g/mol
Exact Mass330.05
IUPAC Name1,2,3,4,5,6,7-heptafluoro-5-propan-2-yl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
SMILESCC(C)C1(F)C2(F)C(F)=C(F)C(F)(C2F)C1(F)C(F)(F)F
InChIInChI=1S/C11H8F10/c1-3(2)9(17)7(15)4(12)5(13)8(16,6(7)14)10(9,18)11(19,20)21/h3,6H,1-2H3
InChIKeyGDDKBBDMXJLHBG-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7-heptafluoro-5-propan-2-yl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1,2,3,4,5,6,7-heptafluoro-5-propan-2-yl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene (CID 87656886) is 1,2,3,4,5,6,7-heptafluoro-5-propan-2-yl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1,2,3,4,5,6,7-heptafluoro-5-propan-2-yl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1,2,3,4,5,6,7-heptafluoro-5-propan-2-yl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene is CC(C)C1(F)C2(F)C(F)=C(F)C(F)(C2F)C1(F)C(F)(F)F.
What is the InChIKey of 1,2,3,4,5,6,7-heptafluoro-5-propan-2-yl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is GDDKBBDMXJLHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F10/c1-3(2)9(17)7(15)4(12)5(13)8(16,6(7)14)10(9,18)11(19,20)21/h3,6H,1-2H3.
What are the key properties of 1,2,3,4,5,6,7-heptafluoro-5-propan-2-yl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
1,2,3,4,5,6,7-heptafluoro-5-propan-2-yl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 330.17 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7-heptafluoro-5-propan-2-yl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 87656886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).