1,1,2,2,3,3,4-heptafluoro-4-methyl-5-propan-2-ylidenecyclopentane

C9H9F7 — CID 170294216

IUPAC1,1,2,2,3,3,4-heptafluoro-4-methyl-5-propan-2-ylidenecyclopentane
SMILESCC(C)=C1C(C)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H9F7/c1-4(2)5-6(3,10)8(13,14)9(15,16)7(5,11)12/h1-3H3
InChIKeyJOYNAJKIROSOAC-UHFFFAOYSA-N
MW250.16 g/mol
LogP3.97
Rot. Bonds

About 1,1,2,2,3,3,4-heptafluoro-4-methyl-5-propan-2-ylidenecyclopentane

1,1,2,2,3,3,4-heptafluoro-4-methyl-5-propan-2-ylidenecyclopentane (PubChem CID 170294216) has the molecular formula C9H9F7 and a molecular weight of 250.16 g/mol. Its IUPAC name is 1,1,2,2,3,3,4-heptafluoro-4-methyl-5-propan-2-ylidenecyclopentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4-heptafluoro-4-methyl-5-propan-2-ylidenecyclopentane
PubChem CID170294216
Molecular FormulaC9H9F7
Molecular Weight250.16 g/mol
Exact Mass250.06
IUPAC Name1,1,2,2,3,3,4-heptafluoro-4-methyl-5-propan-2-ylidenecyclopentane
SMILESCC(C)=C1C(C)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H9F7/c1-4(2)5-6(3,10)8(13,14)9(15,16)7(5,11)12/h1-3H3
InChIKeyJOYNAJKIROSOAC-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.16
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4-heptafluoro-4-methyl-5-propan-2-ylidenecyclopentane?
The IUPAC name of 1,1,2,2,3,3,4-heptafluoro-4-methyl-5-propan-2-ylidenecyclopentane (CID 170294216) is 1,1,2,2,3,3,4-heptafluoro-4-methyl-5-propan-2-ylidenecyclopentane.
What is the SMILES notation for 1,1,2,2,3,3,4-heptafluoro-4-methyl-5-propan-2-ylidenecyclopentane?
The canonical SMILES for 1,1,2,2,3,3,4-heptafluoro-4-methyl-5-propan-2-ylidenecyclopentane is CC(C)=C1C(C)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4-heptafluoro-4-methyl-5-propan-2-ylidenecyclopentane?
The InChIKey is JOYNAJKIROSOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F7/c1-4(2)5-6(3,10)8(13,14)9(15,16)7(5,11)12/h1-3H3.
What are the key properties of 1,1,2,2,3,3,4-heptafluoro-4-methyl-5-propan-2-ylidenecyclopentane?
1,1,2,2,3,3,4-heptafluoro-4-methyl-5-propan-2-ylidenecyclopentane has a molecular weight of 250.16 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4-heptafluoro-4-methyl-5-propan-2-ylidenecyclopentane is sourced from PubChem (CID 170294216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).