1-iodo-2-(trifluoromethyl)cyclopentane

C6H8F3I — CID 139678014

IUPAC1-iodo-2-(trifluoromethyl)cyclopentane
SMILESFC(F)(F)C1CCCC1I
InChIInChI=1S/C6H8F3I/c7-6(8,9)4-2-1-3-5(4)10/h4-5H,1-3H2
InChIKeyHGPKGDQDOJNBGB-UHFFFAOYSA-N
MW264.03 g/mol
LogP3.15
Rot. Bonds

About 1-iodo-2-(trifluoromethyl)cyclopentane

1-iodo-2-(trifluoromethyl)cyclopentane (PubChem CID 139678014) has the molecular formula C6H8F3I and a molecular weight of 264.03 g/mol. Its IUPAC name is 1-iodo-2-(trifluoromethyl)cyclopentane.

Molecular Properties

Compound Name1-iodo-2-(trifluoromethyl)cyclopentane
PubChem CID139678014
Molecular FormulaC6H8F3I
Molecular Weight264.03 g/mol
Exact Mass263.96
IUPAC Name1-iodo-2-(trifluoromethyl)cyclopentane
SMILESFC(F)(F)C1CCCC1I
InChIInChI=1S/C6H8F3I/c7-6(8,9)4-2-1-3-5(4)10/h4-5H,1-3H2
InChIKeyHGPKGDQDOJNBGB-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.03
LogP ≤ 53.15
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-iodo-2-(trifluoromethyl)cyclopentane?
The IUPAC name of 1-iodo-2-(trifluoromethyl)cyclopentane (CID 139678014) is 1-iodo-2-(trifluoromethyl)cyclopentane.
What is the SMILES notation for 1-iodo-2-(trifluoromethyl)cyclopentane?
The canonical SMILES for 1-iodo-2-(trifluoromethyl)cyclopentane is FC(F)(F)C1CCCC1I.
What is the InChIKey of 1-iodo-2-(trifluoromethyl)cyclopentane?
The InChIKey is HGPKGDQDOJNBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3I/c7-6(8,9)4-2-1-3-5(4)10/h4-5H,1-3H2.
What are the key properties of 1-iodo-2-(trifluoromethyl)cyclopentane?
1-iodo-2-(trifluoromethyl)cyclopentane has a molecular weight of 264.03 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-(trifluoromethyl)cyclopentane is sourced from PubChem (CID 139678014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).