1-(iodomethyl)-2-(trifluoromethyl)cyclopropane

C5H6F3I — CID 162613655

IUPAC1-(iodomethyl)-2-(trifluoromethyl)cyclopropane
SMILESFC(F)(F)C1CC1CI
InChIInChI=1S/C5H6F3I/c6-5(7,8)4-1-3(4)2-9/h3-4H,1-2H2
InChIKeyWCMRGZUXHBYVIR-UHFFFAOYSA-N
MW250.00 g/mol
LogP2.62
Rot. Bonds1

About 1-(iodomethyl)-2-(trifluoromethyl)cyclopropane

1-(iodomethyl)-2-(trifluoromethyl)cyclopropane (PubChem CID 162613655) has the molecular formula C5H6F3I and a molecular weight of 250.00 g/mol. Its IUPAC name is 1-(iodomethyl)-2-(trifluoromethyl)cyclopropane.

Molecular Properties

Compound Name1-(iodomethyl)-2-(trifluoromethyl)cyclopropane
PubChem CID162613655
Molecular FormulaC5H6F3I
Molecular Weight250.00 g/mol
Exact Mass249.95
IUPAC Name1-(iodomethyl)-2-(trifluoromethyl)cyclopropane
SMILESFC(F)(F)C1CC1CI
InChIInChI=1S/C5H6F3I/c6-5(7,8)4-1-3(4)2-9/h3-4H,1-2H2
InChIKeyWCMRGZUXHBYVIR-UHFFFAOYSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.00
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(iodomethyl)-2-(trifluoromethyl)cyclopropane?
The IUPAC name of 1-(iodomethyl)-2-(trifluoromethyl)cyclopropane (CID 162613655) is 1-(iodomethyl)-2-(trifluoromethyl)cyclopropane.
What is the SMILES notation for 1-(iodomethyl)-2-(trifluoromethyl)cyclopropane?
The canonical SMILES for 1-(iodomethyl)-2-(trifluoromethyl)cyclopropane is FC(F)(F)C1CC1CI.
What is the InChIKey of 1-(iodomethyl)-2-(trifluoromethyl)cyclopropane?
The InChIKey is WCMRGZUXHBYVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3I/c6-5(7,8)4-1-3(4)2-9/h3-4H,1-2H2.
What are the key properties of 1-(iodomethyl)-2-(trifluoromethyl)cyclopropane?
1-(iodomethyl)-2-(trifluoromethyl)cyclopropane has a molecular weight of 250.00 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)-2-(trifluoromethyl)cyclopropane is sourced from PubChem (CID 162613655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).