(1R,2R,4R)-1-fluoro-4-(iodomethyl)-2-methylcyclopentane

C7H12FI — CID 58246556

IUPAC(1R,2R,4R)-1-fluoro-4-(iodomethyl)-2-methylcyclopentane
SMILESC[C@@H]1C[C@@H](CI)C[C@H]1F
InChIInChI=1S/C7H12FI/c1-5-2-6(4-9)3-7(5)8/h5-7H,2-4H2,1H3/t5-,6-,7-/m1/s1
InChIKeyCDOLVJUEHMZAJK-FSDSQADBSA-N
MW242.07 g/mol
LogP2.81
Rot. Bonds1

About (1R,2R,4R)-1-fluoro-4-(iodomethyl)-2-methylcyclopentane

(1R,2R,4R)-1-fluoro-4-(iodomethyl)-2-methylcyclopentane (PubChem CID 58246556) has the molecular formula C7H12FI and a molecular weight of 242.07 g/mol. Its IUPAC name is (1R,2R,4R)-1-fluoro-4-(iodomethyl)-2-methylcyclopentane.

Molecular Properties

Compound Name(1R,2R,4R)-1-fluoro-4-(iodomethyl)-2-methylcyclopentane
PubChem CID58246556
Molecular FormulaC7H12FI
Molecular Weight242.07 g/mol
Exact Mass242.00
IUPAC Name(1R,2R,4R)-1-fluoro-4-(iodomethyl)-2-methylcyclopentane
SMILESC[C@@H]1C[C@@H](CI)C[C@H]1F
InChIInChI=1S/C7H12FI/c1-5-2-6(4-9)3-7(5)8/h5-7H,2-4H2,1H3/t5-,6-,7-/m1/s1
InChIKeyCDOLVJUEHMZAJK-FSDSQADBSA-N
XLogP2.81
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 ≤ 52.81
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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Related Compounds

trans-1-Iod-2-methylcyclopentan
CID 89328787
cis-1-Iod-2-methylcyclopentan
CID 129287606
1-(Fluoromethyl)-3-methylcyclopentane
CID 20606325
1-Fluoro-1-iodo-3-methylhexane
CID 57095087
Rel-(1R,2S,4r)-1,2-difluoro-4-(iodomethyl)cyclopentane
CID 59151255
trans-(1R,3R)-1-(fluoromethyl)-3-methylcyclopentane
CID 67978903
1-Fluoro-2,4-dimethylcyclopentane
CID 68200220
1,2-Difluoro-4-(iodomethyl)cyclopentane
CID 72541733
(4R)-2-fluoro-4-(iodomethyl)hexane
CID 87420255
2-Fluoro-1-iodo-3,4-dimethylcyclopentane
CID 89088711
3-Ethyl-1-fluoro-1-iodocyclopentane
CID 89689071
1-Fluoro-1,3-dimethylcyclopentane
CID 124145635

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-1-fluoro-4-(iodomethyl)-2-methylcyclopentane?
The IUPAC name of (1R,2R,4R)-1-fluoro-4-(iodomethyl)-2-methylcyclopentane (CID 58246556) is (1R,2R,4R)-1-fluoro-4-(iodomethyl)-2-methylcyclopentane.
What is the SMILES notation for (1R,2R,4R)-1-fluoro-4-(iodomethyl)-2-methylcyclopentane?
The canonical SMILES for (1R,2R,4R)-1-fluoro-4-(iodomethyl)-2-methylcyclopentane is C[C@@H]1C[C@@H](CI)C[C@H]1F.
What is the InChIKey of (1R,2R,4R)-1-fluoro-4-(iodomethyl)-2-methylcyclopentane?
The InChIKey is CDOLVJUEHMZAJK-FSDSQADBSA-N. The full InChI is InChI=1S/C7H12FI/c1-5-2-6(4-9)3-7(5)8/h5-7H,2-4H2,1H3/t5-,6-,7-/m1/s1.
What are the key properties of (1R,2R,4R)-1-fluoro-4-(iodomethyl)-2-methylcyclopentane?
(1R,2R,4R)-1-fluoro-4-(iodomethyl)-2-methylcyclopentane has a molecular weight of 242.07 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-1-fluoro-4-(iodomethyl)-2-methylcyclopentane is sourced from PubChem (CID 58246556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).