[(E)-3,3,3-trifluoroprop-1-enyl]cyclopentane

C8H11F3 — CID 142489951

IUPAC[(E)-3,3,3-trifluoroprop-1-enyl]cyclopentane
SMILESFC(F)(F)/C=C/C1CCCC1
InChIInChI=1S/C8H11F3/c9-8(10,11)6-5-7-3-1-2-4-7/h5-7H,1-4H2/b6-5+
InChIKeyPWANRVDJSQRGFE-AATRIKPKSA-N
MW164.17 g/mol
LogP3.30
Rot. Bonds1

About [(E)-3,3,3-trifluoroprop-1-enyl]cyclopentane

[(E)-3,3,3-trifluoroprop-1-enyl]cyclopentane (PubChem CID 142489951) has the molecular formula C8H11F3 and a molecular weight of 164.17 g/mol. Its IUPAC name is [(E)-3,3,3-trifluoroprop-1-enyl]cyclopentane.

Molecular Properties

Compound Name[(E)-3,3,3-trifluoroprop-1-enyl]cyclopentane
PubChem CID142489951
Molecular FormulaC8H11F3
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name[(E)-3,3,3-trifluoroprop-1-enyl]cyclopentane
SMILESFC(F)(F)/C=C/C1CCCC1
InChIInChI=1S/C8H11F3/c9-8(10,11)6-5-7-3-1-2-4-7/h5-7H,1-4H2/b6-5+
InChIKeyPWANRVDJSQRGFE-AATRIKPKSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-3,3,3-trifluoroprop-1-enyl]cyclopentane?
The IUPAC name of [(E)-3,3,3-trifluoroprop-1-enyl]cyclopentane (CID 142489951) is [(E)-3,3,3-trifluoroprop-1-enyl]cyclopentane.
What is the SMILES notation for [(E)-3,3,3-trifluoroprop-1-enyl]cyclopentane?
The canonical SMILES for [(E)-3,3,3-trifluoroprop-1-enyl]cyclopentane is FC(F)(F)/C=C/C1CCCC1.
What is the InChIKey of [(E)-3,3,3-trifluoroprop-1-enyl]cyclopentane?
The InChIKey is PWANRVDJSQRGFE-AATRIKPKSA-N. The full InChI is InChI=1S/C8H11F3/c9-8(10,11)6-5-7-3-1-2-4-7/h5-7H,1-4H2/b6-5+.
What are the key properties of [(E)-3,3,3-trifluoroprop-1-enyl]cyclopentane?
[(E)-3,3,3-trifluoroprop-1-enyl]cyclopentane has a molecular weight of 164.17 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3,3,3-trifluoroprop-1-enyl]cyclopentane is sourced from PubChem (CID 142489951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).