1,1,2,2,3,3,4-heptafluorocyclopentane

C5H3F7 — CID 3853245

IUPAC1,1,2,2,3,3,4-heptafluorocyclopentane
SMILESFC1CC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5H3F7/c6-2-1-3(7,8)5(11,12)4(2,9)10/h2H,1H2
InChIKeyIDBYQQQHBYGLEQ-UHFFFAOYSA-N
MW196.06 g/mol
LogP2.63
Rot. Bonds

About 1,1,2,2,3,3,4-heptafluorocyclopentane

1,1,2,2,3,3,4-heptafluorocyclopentane (PubChem CID 3853245) has the molecular formula C5H3F7 and a molecular weight of 196.06 g/mol. Its IUPAC name is 1,1,2,2,3,3,4-heptafluorocyclopentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4-heptafluorocyclopentane
PubChem CID3853245
Molecular FormulaC5H3F7
Molecular Weight196.06 g/mol
Exact Mass196.01
IUPAC Name1,1,2,2,3,3,4-heptafluorocyclopentane
SMILESFC1CC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5H3F7/c6-2-1-3(7,8)5(11,12)4(2,9)10/h2H,1H2
InChIKeyIDBYQQQHBYGLEQ-UHFFFAOYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.06
LogP ≤ 52.63
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 1,1,2,2,3,3,4-heptafluorocyclopentane?
The IUPAC name of 1,1,2,2,3,3,4-heptafluorocyclopentane (CID 3853245) is 1,1,2,2,3,3,4-heptafluorocyclopentane.
What is the SMILES notation for 1,1,2,2,3,3,4-heptafluorocyclopentane?
The canonical SMILES for 1,1,2,2,3,3,4-heptafluorocyclopentane is FC1CC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4-heptafluorocyclopentane?
The InChIKey is IDBYQQQHBYGLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F7/c6-2-1-3(7,8)5(11,12)4(2,9)10/h2H,1H2.
What are the key properties of 1,1,2,2,3,3,4-heptafluorocyclopentane?
1,1,2,2,3,3,4-heptafluorocyclopentane has a molecular weight of 196.06 g/mol, XLogP of 2.63, 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-heptafluorocyclopentane is sourced from PubChem (CID 3853245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).