2-iodo-1-(trifluoromethyl)bicyclo[1.1.1]pentane

C6H6F3I — CID 175699105

IUPAC2-iodo-1-(trifluoromethyl)bicyclo[1.1.1]pentane
SMILESFC(F)(F)C12CC(C1)C2I
InChIInChI=1S/C6H6F3I/c7-6(8,9)5-1-3(2-5)4(5)10/h3-4H,1-2H2
InChIKeyLJEWHLZPZKTTDI-UHFFFAOYSA-N
MW262.01 g/mol
LogP2.76
Rot. Bonds

About 2-iodo-1-(trifluoromethyl)bicyclo[1.1.1]pentane

2-iodo-1-(trifluoromethyl)bicyclo[1.1.1]pentane (PubChem CID 175699105) has the molecular formula C6H6F3I and a molecular weight of 262.01 g/mol. Its IUPAC name is 2-iodo-1-(trifluoromethyl)bicyclo[1.1.1]pentane.

Molecular Properties

Compound Name2-iodo-1-(trifluoromethyl)bicyclo[1.1.1]pentane
PubChem CID175699105
Molecular FormulaC6H6F3I
Molecular Weight262.01 g/mol
Exact Mass261.95
IUPAC Name2-iodo-1-(trifluoromethyl)bicyclo[1.1.1]pentane
SMILESFC(F)(F)C12CC(C1)C2I
InChIInChI=1S/C6H6F3I/c7-6(8,9)5-1-3(2-5)4(5)10/h3-4H,1-2H2
InChIKeyLJEWHLZPZKTTDI-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.01
LogP ≤ 52.76
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 2-iodo-1-(trifluoromethyl)bicyclo[1.1.1]pentane?
The IUPAC name of 2-iodo-1-(trifluoromethyl)bicyclo[1.1.1]pentane (CID 175699105) is 2-iodo-1-(trifluoromethyl)bicyclo[1.1.1]pentane.
What is the SMILES notation for 2-iodo-1-(trifluoromethyl)bicyclo[1.1.1]pentane?
The canonical SMILES for 2-iodo-1-(trifluoromethyl)bicyclo[1.1.1]pentane is FC(F)(F)C12CC(C1)C2I.
What is the InChIKey of 2-iodo-1-(trifluoromethyl)bicyclo[1.1.1]pentane?
The InChIKey is LJEWHLZPZKTTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3I/c7-6(8,9)5-1-3(2-5)4(5)10/h3-4H,1-2H2.
What are the key properties of 2-iodo-1-(trifluoromethyl)bicyclo[1.1.1]pentane?
2-iodo-1-(trifluoromethyl)bicyclo[1.1.1]pentane has a molecular weight of 262.01 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-(trifluoromethyl)bicyclo[1.1.1]pentane is sourced from PubChem (CID 175699105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).