chlorocyclopentane;1,1,2,2,3,3,4-heptafluorocyclopentane

C10H12ClF7 — CID 159466515

IUPACchlorocyclopentane;1,1,2,2,3,3,4-heptafluorocyclopentane
SMILESClC1CCCC1.FC1CC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5H9Cl.C5H3F7/c6-5-3-1-2-4-5;6-2-1-3(7,8)5(11,12)4(2,9)10/h5H,1-4H2;2H,1H2
InChIKeyLVGGTKGLBOBDFJ-UHFFFAOYSA-N
MW300.65 g/mol
LogP4.80
Rot. Bonds

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

chlorocyclopentane;1,1,2,2,3,3,4-heptafluorocyclopentane (PubChem CID 159466515) has the molecular formula C10H12ClF7 and a molecular weight of 300.65 g/mol. Its IUPAC name is chlorocyclopentane;1,1,2,2,3,3,4-heptafluorocyclopentane.

Molecular Properties

Compound Namechlorocyclopentane;1,1,2,2,3,3,4-heptafluorocyclopentane
PubChem CID159466515
Molecular FormulaC10H12ClF7
Molecular Weight300.65 g/mol
Exact Mass300.05
IUPAC Namechlorocyclopentane;1,1,2,2,3,3,4-heptafluorocyclopentane
SMILESClC1CCCC1.FC1CC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5H9Cl.C5H3F7/c6-5-3-1-2-4-5;6-2-1-3(7,8)5(11,12)4(2,9)10/h5H,1-4H2;2H,1H2
InChIKeyLVGGTKGLBOBDFJ-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.65
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of chlorocyclopentane;1,1,2,2,3,3,4-heptafluorocyclopentane?
The IUPAC name of chlorocyclopentane;1,1,2,2,3,3,4-heptafluorocyclopentane (CID 159466515) is chlorocyclopentane;1,1,2,2,3,3,4-heptafluorocyclopentane.
What is the SMILES notation for chlorocyclopentane;1,1,2,2,3,3,4-heptafluorocyclopentane?
The canonical SMILES for chlorocyclopentane;1,1,2,2,3,3,4-heptafluorocyclopentane is ClC1CCCC1.FC1CC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of chlorocyclopentane;1,1,2,2,3,3,4-heptafluorocyclopentane?
The InChIKey is LVGGTKGLBOBDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl.C5H3F7/c6-5-3-1-2-4-5;6-2-1-3(7,8)5(11,12)4(2,9)10/h5H,1-4H2;2H,1H2.
What are the key properties of chlorocyclopentane;1,1,2,2,3,3,4-heptafluorocyclopentane?
chlorocyclopentane;1,1,2,2,3,3,4-heptafluorocyclopentane has a molecular weight of 300.65 g/mol, XLogP of 4.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlorocyclopentane;1,1,2,2,3,3,4-heptafluorocyclopentane is sourced from PubChem (CID 159466515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).