About cis-(1S,2R)-1,2-difluoro-4-(iodomethyl)cyclopentane
cis-(1S,2R)-1,2-difluoro-4-(iodomethyl)cyclopentane (PubChem CID 59151255) has the molecular formula C6H9F2I
and a molecular weight of 246.04 g/mol. Its IUPAC name is cis-(1S,2R)-1,2-difluoro-4-(iodomethyl)cyclopentane.
Molecular Properties
| Compound Name | cis-(1S,2R)-1,2-difluoro-4-(iodomethyl)cyclopentane |
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| PubChem CID | 59151255 |
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| Molecular Formula | C6H9F2I |
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| Molecular Weight | 246.04 g/mol |
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| Exact Mass | 245.97 |
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| IUPAC Name | cis-(1S,2R)-1,2-difluoro-4-(iodomethyl)cyclopentane |
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| SMILES | F[C@@H]1CC(CI)C[C@@H]1F |
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| InChI | InChI=1S/C6H9F2I/c7-5-1-4(3-9)2-6(5)8/h4-6H,1-3H2/t4?,5-,6+ |
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| InChIKey | YIPVJJIGRLHJGA-GOHHTPAQSA-N |
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| XLogP | 2.51 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 1 |
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| Heavy Atoms | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 246.04 |
| LogP ≤ 5 | 2.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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 cis-(1S,2R)-1,2-difluoro-4-(iodomethyl)cyclopentane?
The IUPAC name of cis-(1S,2R)-1,2-difluoro-4-(iodomethyl)cyclopentane (CID 59151255) is cis-(1S,2R)-1,2-difluoro-4-(iodomethyl)cyclopentane.
What is the SMILES notation for cis-(1S,2R)-1,2-difluoro-4-(iodomethyl)cyclopentane?
The canonical SMILES for cis-(1S,2R)-1,2-difluoro-4-(iodomethyl)cyclopentane is F[C@@H]1CC(CI)C[C@@H]1F.
What is the InChIKey of cis-(1S,2R)-1,2-difluoro-4-(iodomethyl)cyclopentane?
The InChIKey is YIPVJJIGRLHJGA-GOHHTPAQSA-N. The full InChI is InChI=1S/C6H9F2I/c7-5-1-4(3-9)2-6(5)8/h4-6H,1-3H2/t4?,5-,6+.
What are the key properties of cis-(1S,2R)-1,2-difluoro-4-(iodomethyl)cyclopentane?
cis-(1S,2R)-1,2-difluoro-4-(iodomethyl)cyclopentane has a molecular weight of 246.04 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1,2-difluoro-4-(iodomethyl)cyclopentane is sourced from PubChem (CID 59151255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).