1-(1,1,2,2-tetrafluorobutyl)cyclopenta-1,3-diene

C9H10F4 — CID 57211864

IUPAC1-(1,1,2,2-tetrafluorobutyl)cyclopenta-1,3-diene
SMILESCCC(F)(F)C(F)(F)C1=CC=CC1
InChIInChI=1S/C9H10F4/c1-2-8(10,11)9(12,13)7-5-3-4-6-7/h3-5H,2,6H2,1H3
InChIKeyDLJCNCWKMOXPLR-UHFFFAOYSA-N
MW194.17 g/mol
LogP3.55
Rot. Bonds3

About 1-(1,1,2,2-tetrafluorobutyl)cyclopenta-1,3-diene

1-(1,1,2,2-tetrafluorobutyl)cyclopenta-1,3-diene (PubChem CID 57211864) has the molecular formula C9H10F4 and a molecular weight of 194.17 g/mol. Its IUPAC name is 1-(1,1,2,2-tetrafluorobutyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(1,1,2,2-tetrafluorobutyl)cyclopenta-1,3-diene
PubChem CID57211864
Molecular FormulaC9H10F4
Molecular Weight194.17 g/mol
Exact Mass194.07
IUPAC Name1-(1,1,2,2-tetrafluorobutyl)cyclopenta-1,3-diene
SMILESCCC(F)(F)C(F)(F)C1=CC=CC1
InChIInChI=1S/C9H10F4/c1-2-8(10,11)9(12,13)7-5-3-4-6-7/h3-5H,2,6H2,1H3
InChIKeyDLJCNCWKMOXPLR-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 53.55
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-(1,1,2,2-tetrafluorobutyl)cyclopenta-1,3-diene?
The IUPAC name of 1-(1,1,2,2-tetrafluorobutyl)cyclopenta-1,3-diene (CID 57211864) is 1-(1,1,2,2-tetrafluorobutyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-(1,1,2,2-tetrafluorobutyl)cyclopenta-1,3-diene?
The canonical SMILES for 1-(1,1,2,2-tetrafluorobutyl)cyclopenta-1,3-diene is CCC(F)(F)C(F)(F)C1=CC=CC1.
What is the InChIKey of 1-(1,1,2,2-tetrafluorobutyl)cyclopenta-1,3-diene?
The InChIKey is DLJCNCWKMOXPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4/c1-2-8(10,11)9(12,13)7-5-3-4-6-7/h3-5H,2,6H2,1H3.
What are the key properties of 1-(1,1,2,2-tetrafluorobutyl)cyclopenta-1,3-diene?
1-(1,1,2,2-tetrafluorobutyl)cyclopenta-1,3-diene has a molecular weight of 194.17 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2-tetrafluorobutyl)cyclopenta-1,3-diene is sourced from PubChem (CID 57211864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).