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

C7H7F3 — CID 15430809

IUPAC2-(2,2,2-trifluoroethyl)cyclopenta-1,3-diene
SMILESFC(F)(F)CC1=CCC=C1
InChIInChI=1S/C7H7F3/c8-7(9,10)5-6-3-1-2-4-6/h1,3-4H,2,5H2
InChIKeyVXRLCHKCFZMTTP-UHFFFAOYSA-N
MW148.13 g/mol
LogP2.83
Rot. Bonds1

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

2-(2,2,2-trifluoroethyl)cyclopenta-1,3-diene (PubChem CID 15430809) has the molecular formula C7H7F3 and a molecular weight of 148.13 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)cyclopenta-1,3-diene
PubChem CID15430809
Molecular FormulaC7H7F3
Molecular Weight148.13 g/mol
Exact Mass148.05
IUPAC Name2-(2,2,2-trifluoroethyl)cyclopenta-1,3-diene
SMILESFC(F)(F)CC1=CCC=C1
InChIInChI=1S/C7H7F3/c8-7(9,10)5-6-3-1-2-4-6/h1,3-4H,2,5H2
InChIKeyVXRLCHKCFZMTTP-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)cyclopenta-1,3-diene?
The IUPAC name of 2-(2,2,2-trifluoroethyl)cyclopenta-1,3-diene (CID 15430809) is 2-(2,2,2-trifluoroethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)cyclopenta-1,3-diene?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)cyclopenta-1,3-diene is FC(F)(F)CC1=CCC=C1.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)cyclopenta-1,3-diene?
The InChIKey is VXRLCHKCFZMTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3/c8-7(9,10)5-6-3-1-2-4-6/h1,3-4H,2,5H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)cyclopenta-1,3-diene?
2-(2,2,2-trifluoroethyl)cyclopenta-1,3-diene has a molecular weight of 148.13 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 15430809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).