(1R,2R,4R)-4-ethyl-1-fluoro-2-iodocyclopentane

C7H12FI — CID 170104685

IUPAC(1R,2R,4R)-4-ethyl-1-fluoro-2-iodocyclopentane
SMILESCC[C@@H]1C[C@@H](F)[C@H](I)C1
InChIInChI=1S/C7H12FI/c1-2-5-3-6(8)7(9)4-5/h5-7H,2-4H2,1H3/t5-,6-,7-/m1/s1
InChIKeyZKIMHNKJDWOABV-FSDSQADBSA-N
MW242.07 g/mol
LogP2.95
Rot. Bonds1

About (1R,2R,4R)-4-ethyl-1-fluoro-2-iodocyclopentane

(1R,2R,4R)-4-ethyl-1-fluoro-2-iodocyclopentane (PubChem CID 170104685) has the molecular formula C7H12FI and a molecular weight of 242.07 g/mol. Its IUPAC name is (1R,2R,4R)-4-ethyl-1-fluoro-2-iodocyclopentane.

Molecular Properties

Compound Name(1R,2R,4R)-4-ethyl-1-fluoro-2-iodocyclopentane
PubChem CID170104685
Molecular FormulaC7H12FI
Molecular Weight242.07 g/mol
Exact Mass242.00
IUPAC Name(1R,2R,4R)-4-ethyl-1-fluoro-2-iodocyclopentane
SMILESCC[C@@H]1C[C@@H](F)[C@H](I)C1
InChIInChI=1S/C7H12FI/c1-2-5-3-6(8)7(9)4-5/h5-7H,2-4H2,1H3/t5-,6-,7-/m1/s1
InChIKeyZKIMHNKJDWOABV-FSDSQADBSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 52.95
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 (1R,2R,4R)-4-ethyl-1-fluoro-2-iodocyclopentane?
The IUPAC name of (1R,2R,4R)-4-ethyl-1-fluoro-2-iodocyclopentane (CID 170104685) is (1R,2R,4R)-4-ethyl-1-fluoro-2-iodocyclopentane.
What is the SMILES notation for (1R,2R,4R)-4-ethyl-1-fluoro-2-iodocyclopentane?
The canonical SMILES for (1R,2R,4R)-4-ethyl-1-fluoro-2-iodocyclopentane is CC[C@@H]1C[C@@H](F)[C@H](I)C1.
What is the InChIKey of (1R,2R,4R)-4-ethyl-1-fluoro-2-iodocyclopentane?
The InChIKey is ZKIMHNKJDWOABV-FSDSQADBSA-N. The full InChI is InChI=1S/C7H12FI/c1-2-5-3-6(8)7(9)4-5/h5-7H,2-4H2,1H3/t5-,6-,7-/m1/s1.
What are the key properties of (1R,2R,4R)-4-ethyl-1-fluoro-2-iodocyclopentane?
(1R,2R,4R)-4-ethyl-1-fluoro-2-iodocyclopentane has a molecular weight of 242.07 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-4-ethyl-1-fluoro-2-iodocyclopentane is sourced from PubChem (CID 170104685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).