1,4-bis(3,3,3-trifluoropropyl)cyclopenta-1,3-diene

C11H12F6 — CID 134898001

IUPAC1,4-bis(3,3,3-trifluoropropyl)cyclopenta-1,3-diene
SMILESFC(F)(F)CCC1=CC=C(CCC(F)(F)F)C1
InChIInChI=1S/C11H12F6/c12-10(13,14)5-3-8-1-2-9(7-8)4-6-11(15,16)17/h1-2H,3-7H2
InChIKeyNOQJAWMMZPQGPS-UHFFFAOYSA-N
MW258.20 g/mol
LogP4.93
Rot. Bonds4

About 1,4-bis(3,3,3-trifluoropropyl)cyclopenta-1,3-diene

1,4-bis(3,3,3-trifluoropropyl)cyclopenta-1,3-diene (PubChem CID 134898001) has the molecular formula C11H12F6 and a molecular weight of 258.20 g/mol. Its IUPAC name is 1,4-bis(3,3,3-trifluoropropyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,4-bis(3,3,3-trifluoropropyl)cyclopenta-1,3-diene
PubChem CID134898001
Molecular FormulaC11H12F6
Molecular Weight258.20 g/mol
Exact Mass258.08
IUPAC Name1,4-bis(3,3,3-trifluoropropyl)cyclopenta-1,3-diene
SMILESFC(F)(F)CCC1=CC=C(CCC(F)(F)F)C1
InChIInChI=1S/C11H12F6/c12-10(13,14)5-3-8-1-2-9(7-8)4-6-11(15,16)17/h1-2H,3-7H2
InChIKeyNOQJAWMMZPQGPS-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(3,3,3-trifluoropropyl)cyclopenta-1,3-diene?
The IUPAC name of 1,4-bis(3,3,3-trifluoropropyl)cyclopenta-1,3-diene (CID 134898001) is 1,4-bis(3,3,3-trifluoropropyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1,4-bis(3,3,3-trifluoropropyl)cyclopenta-1,3-diene?
The canonical SMILES for 1,4-bis(3,3,3-trifluoropropyl)cyclopenta-1,3-diene is FC(F)(F)CCC1=CC=C(CCC(F)(F)F)C1.
What is the InChIKey of 1,4-bis(3,3,3-trifluoropropyl)cyclopenta-1,3-diene?
The InChIKey is NOQJAWMMZPQGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F6/c12-10(13,14)5-3-8-1-2-9(7-8)4-6-11(15,16)17/h1-2H,3-7H2.
What are the key properties of 1,4-bis(3,3,3-trifluoropropyl)cyclopenta-1,3-diene?
1,4-bis(3,3,3-trifluoropropyl)cyclopenta-1,3-diene has a molecular weight of 258.20 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(3,3,3-trifluoropropyl)cyclopenta-1,3-diene is sourced from PubChem (CID 134898001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).