1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene;hydrofluoride

C9H10F8 — CID 175434745

IUPAC1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene;hydrofluoride
SMILESCC(C)(C)C1=C(F)C(F)(F)C(F)(F)C1(F)F.F
InChIInChI=1S/C9H9F7.FH/c1-6(2,3)4-5(10)8(13,14)9(15,16)7(4,11)12;/h1-3H3;1H
InChIKeyVNMJXLHTZSDZSL-UHFFFAOYSA-N
MW270.16 g/mol
LogP4.33
Rot. Bonds

About 1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene;hydrofluoride

1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene;hydrofluoride (PubChem CID 175434745) has the molecular formula C9H10F8 and a molecular weight of 270.16 g/mol. Its IUPAC name is 1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene;hydrofluoride.

Molecular Properties

Compound Name1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene;hydrofluoride
PubChem CID175434745
Molecular FormulaC9H10F8
Molecular Weight270.16 g/mol
Exact Mass270.07
IUPAC Name1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene;hydrofluoride
SMILESCC(C)(C)C1=C(F)C(F)(F)C(F)(F)C1(F)F.F
InChIInChI=1S/C9H9F7.FH/c1-6(2,3)4-5(10)8(13,14)9(15,16)7(4,11)12;/h1-3H3;1H
InChIKeyVNMJXLHTZSDZSL-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene;hydrofluoride?
The IUPAC name of 1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene;hydrofluoride (CID 175434745) is 1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene;hydrofluoride.
What is the SMILES notation for 1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene;hydrofluoride?
The canonical SMILES for 1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene;hydrofluoride is CC(C)(C)C1=C(F)C(F)(F)C(F)(F)C1(F)F.F.
What is the InChIKey of 1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene;hydrofluoride?
The InChIKey is VNMJXLHTZSDZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F7.FH/c1-6(2,3)4-5(10)8(13,14)9(15,16)7(4,11)12;/h1-3H3;1H.
What are the key properties of 1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene;hydrofluoride?
1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene;hydrofluoride has a molecular weight of 270.16 g/mol, XLogP of 4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene;hydrofluoride is sourced from PubChem (CID 175434745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).