1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene

C10H7F11 — CID 175083539

IUPAC1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(C1=CCCC1)C(F)(F)F
InChIInChI=1S/C10H7F11/c11-6(9(16,17)18,5-3-1-2-4-5)7(12,13)8(14,15)10(19,20)21/h3H,1-2,4H2
InChIKeyDAMRCTBCTASOCD-UHFFFAOYSA-N
MW336.14 g/mol
LogP5.20
Rot. Bonds3

About 1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene

1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene (PubChem CID 175083539) has the molecular formula C10H7F11 and a molecular weight of 336.14 g/mol. Its IUPAC name is 1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene.

Molecular Properties

Compound Name1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene
PubChem CID175083539
Molecular FormulaC10H7F11
Molecular Weight336.14 g/mol
Exact Mass336.04
IUPAC Name1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(C1=CCCC1)C(F)(F)F
InChIInChI=1S/C10H7F11/c11-6(9(16,17)18,5-3-1-2-4-5)7(12,13)8(14,15)10(19,20)21/h3H,1-2,4H2
InChIKeyDAMRCTBCTASOCD-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.14
LogP ≤ 55.20
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-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene?
The IUPAC name of 1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene (CID 175083539) is 1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene.
What is the SMILES notation for 1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene?
The canonical SMILES for 1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene is FC(F)(F)C(F)(F)C(F)(F)C(F)(C1=CCCC1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene?
The InChIKey is DAMRCTBCTASOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F11/c11-6(9(16,17)18,5-3-1-2-4-5)7(12,13)8(14,15)10(19,20)21/h3H,1-2,4H2.
What are the key properties of 1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene?
1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene has a molecular weight of 336.14 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene is sourced from PubChem (CID 175083539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).