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

C8H9F3 — CID 175405139

IUPAC1-(2,3,3-trifluoropropyl)cyclopenta-1,3-diene
SMILESFC(F)C(F)CC1=CC=CC1
InChIInChI=1S/C8H9F3/c9-7(8(10)11)5-6-3-1-2-4-6/h1-3,7-8H,4-5H2
InChIKeyADJUTTUUWRXTJT-UHFFFAOYSA-N
MW162.15 g/mol
LogP2.87
Rot. Bonds3

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

1-(2,3,3-trifluoropropyl)cyclopenta-1,3-diene (PubChem CID 175405139) has the molecular formula C8H9F3 and a molecular weight of 162.15 g/mol. Its IUPAC name is 1-(2,3,3-trifluoropropyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(2,3,3-trifluoropropyl)cyclopenta-1,3-diene
PubChem CID175405139
Molecular FormulaC8H9F3
Molecular Weight162.15 g/mol
Exact Mass162.07
IUPAC Name1-(2,3,3-trifluoropropyl)cyclopenta-1,3-diene
SMILESFC(F)C(F)CC1=CC=CC1
InChIInChI=1S/C8H9F3/c9-7(8(10)11)5-6-3-1-2-4-6/h1-3,7-8H,4-5H2
InChIKeyADJUTTUUWRXTJT-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3-trifluoropropyl)cyclopenta-1,3-diene?
The IUPAC name of 1-(2,3,3-trifluoropropyl)cyclopenta-1,3-diene (CID 175405139) is 1-(2,3,3-trifluoropropyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-(2,3,3-trifluoropropyl)cyclopenta-1,3-diene?
The canonical SMILES for 1-(2,3,3-trifluoropropyl)cyclopenta-1,3-diene is FC(F)C(F)CC1=CC=CC1.
What is the InChIKey of 1-(2,3,3-trifluoropropyl)cyclopenta-1,3-diene?
The InChIKey is ADJUTTUUWRXTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3/c9-7(8(10)11)5-6-3-1-2-4-6/h1-3,7-8H,4-5H2.
What are the key properties of 1-(2,3,3-trifluoropropyl)cyclopenta-1,3-diene?
1-(2,3,3-trifluoropropyl)cyclopenta-1,3-diene has a molecular weight of 162.15 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3-trifluoropropyl)cyclopenta-1,3-diene is sourced from PubChem (CID 175405139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).