4-(chloromethyl)-4-(2,2,2-trifluoroethyl)cyclopentene

C8H10ClF3 — CID 164645878

IUPAC4-(chloromethyl)-4-(2,2,2-trifluoroethyl)cyclopentene
SMILESFC(F)(F)CC1(CCl)CC=CC1
InChIInChI=1S/C8H10ClF3/c9-6-7(3-1-2-4-7)5-8(10,11)12/h1-2H,3-6H2
InChIKeyJQEILEFJZWTRCI-UHFFFAOYSA-N
MW198.61 g/mol
LogP3.51
Rot. Bonds2

About 4-(chloromethyl)-4-(2,2,2-trifluoroethyl)cyclopentene

4-(chloromethyl)-4-(2,2,2-trifluoroethyl)cyclopentene (PubChem CID 164645878) has the molecular formula C8H10ClF3 and a molecular weight of 198.61 g/mol. Its IUPAC name is 4-(chloromethyl)-4-(2,2,2-trifluoroethyl)cyclopentene.

Molecular Properties

Compound Name4-(chloromethyl)-4-(2,2,2-trifluoroethyl)cyclopentene
PubChem CID164645878
Molecular FormulaC8H10ClF3
Molecular Weight198.61 g/mol
Exact Mass198.04
IUPAC Name4-(chloromethyl)-4-(2,2,2-trifluoroethyl)cyclopentene
SMILESFC(F)(F)CC1(CCl)CC=CC1
InChIInChI=1S/C8H10ClF3/c9-6-7(3-1-2-4-7)5-8(10,11)12/h1-2H,3-6H2
InChIKeyJQEILEFJZWTRCI-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-4-(2,2,2-trifluoroethyl)cyclopentene?
The IUPAC name of 4-(chloromethyl)-4-(2,2,2-trifluoroethyl)cyclopentene (CID 164645878) is 4-(chloromethyl)-4-(2,2,2-trifluoroethyl)cyclopentene.
What is the SMILES notation for 4-(chloromethyl)-4-(2,2,2-trifluoroethyl)cyclopentene?
The canonical SMILES for 4-(chloromethyl)-4-(2,2,2-trifluoroethyl)cyclopentene is FC(F)(F)CC1(CCl)CC=CC1.
What is the InChIKey of 4-(chloromethyl)-4-(2,2,2-trifluoroethyl)cyclopentene?
The InChIKey is JQEILEFJZWTRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3/c9-6-7(3-1-2-4-7)5-8(10,11)12/h1-2H,3-6H2.
What are the key properties of 4-(chloromethyl)-4-(2,2,2-trifluoroethyl)cyclopentene?
4-(chloromethyl)-4-(2,2,2-trifluoroethyl)cyclopentene has a molecular weight of 198.61 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-4-(2,2,2-trifluoroethyl)cyclopentene is sourced from PubChem (CID 164645878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).