2-fluoro-1-iodo-3,4-dimethylcyclopentane

C7H12FI — CID 89088711

IUPAC2-fluoro-1-iodo-3,4-dimethylcyclopentane
SMILESCC1CC(I)C(F)C1C
InChIInChI=1S/C7H12FI/c1-4-3-6(9)7(8)5(4)2/h4-7H,3H2,1-2H3
InChIKeyRLXOVQNXVYDQHZ-UHFFFAOYSA-N
MW242.07 g/mol
LogP2.80
Rot. Bonds

About 2-fluoro-1-iodo-3,4-dimethylcyclopentane

2-fluoro-1-iodo-3,4-dimethylcyclopentane (PubChem CID 89088711) has the molecular formula C7H12FI and a molecular weight of 242.07 g/mol. Its IUPAC name is 2-fluoro-1-iodo-3,4-dimethylcyclopentane.

Molecular Properties

Compound Name2-fluoro-1-iodo-3,4-dimethylcyclopentane
PubChem CID89088711
Molecular FormulaC7H12FI
Molecular Weight242.07 g/mol
Exact Mass242.00
IUPAC Name2-fluoro-1-iodo-3,4-dimethylcyclopentane
SMILESCC1CC(I)C(F)C1C
InChIInChI=1S/C7H12FI/c1-4-3-6(9)7(8)5(4)2/h4-7H,3H2,1-2H3
InChIKeyRLXOVQNXVYDQHZ-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 52.80
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-fluoro-1-iodo-3,4-dimethylcyclopentane?
The IUPAC name of 2-fluoro-1-iodo-3,4-dimethylcyclopentane (CID 89088711) is 2-fluoro-1-iodo-3,4-dimethylcyclopentane.
What is the SMILES notation for 2-fluoro-1-iodo-3,4-dimethylcyclopentane?
The canonical SMILES for 2-fluoro-1-iodo-3,4-dimethylcyclopentane is CC1CC(I)C(F)C1C.
What is the InChIKey of 2-fluoro-1-iodo-3,4-dimethylcyclopentane?
The InChIKey is RLXOVQNXVYDQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FI/c1-4-3-6(9)7(8)5(4)2/h4-7H,3H2,1-2H3.
What are the key properties of 2-fluoro-1-iodo-3,4-dimethylcyclopentane?
2-fluoro-1-iodo-3,4-dimethylcyclopentane has a molecular weight of 242.07 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-iodo-3,4-dimethylcyclopentane is sourced from PubChem (CID 89088711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).