cis-(1S,2R)-1,2-difluoro-4-(iodomethyl)cyclopentane

C6H9F2I — CID 59151255

IUPACcis-(1S,2R)-1,2-difluoro-4-(iodomethyl)cyclopentane
SMILESF[C@@H]1CC(CI)C[C@@H]1F
InChIInChI=1S/C6H9F2I/c7-5-1-4(3-9)2-6(5)8/h4-6H,1-3H2/t4?,5-,6+
InChIKeyYIPVJJIGRLHJGA-GOHHTPAQSA-N
MW246.04 g/mol
LogP2.51
Rot. Bonds1

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 Namecis-(1S,2R)-1,2-difluoro-4-(iodomethyl)cyclopentane
PubChem CID59151255
Molecular FormulaC6H9F2I
Molecular Weight246.04 g/mol
Exact Mass245.97
IUPAC Namecis-(1S,2R)-1,2-difluoro-4-(iodomethyl)cyclopentane
SMILESF[C@@H]1CC(CI)C[C@@H]1F
InChIInChI=1S/C6H9F2I/c7-5-1-4(3-9)2-6(5)8/h4-6H,1-3H2/t4?,5-,6+
InChIKeyYIPVJJIGRLHJGA-GOHHTPAQSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.04
LogP ≤ 52.51
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

(Iodomethyl)cyclopentane
CID 2762531
(3,3,3-Trifluoro-1-iodopropyl)cyclopentane
CID 20029286
1-Fluoro-3-(fluoromethyl)cyclopentane
CID 20579840
1,1-Difluoro-3-(iodomethyl)cyclopentane
CID 58024253
(1R,2R,4R)-1-fluoro-4-(iodomethyl)-2-methylcyclopentane
CID 58246556
1-(Difluoromethyl)-3-iodocyclopentane
CID 67486303
1,2-Difluoro-4-(iodomethyl)cyclopentane
CID 72541733
3-Ethyl-1-fluoro-1-iodocyclopentane
CID 89689071
1-Iodo-3-(trifluoromethyl)cyclopentane
CID 130781898
3-(1,1-Diiodoethyl)-1,1-difluorocyclopentane
CID 135224732
1-Iodo-2-(trifluoromethyl)cyclopentane
CID 139678014
1-(Fluoromethyl)-2-iodocyclopentane
CID 141766598

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).