1,2-difluoro-4-(iodomethyl)cyclopentane

C6H9F2I — CID 72541733

IUPAC1,2-difluoro-4-(iodomethyl)cyclopentane
SMILESFC1CC(CI)CC1F
InChIInChI=1S/C6H9F2I/c7-5-1-4(3-9)2-6(5)8/h4-6H,1-3H2
InChIKeyYIPVJJIGRLHJGA-UHFFFAOYSA-N
MW246.04 g/mol
LogP2.51
Rot. Bonds1

About 1,2-difluoro-4-(iodomethyl)cyclopentane

1,2-difluoro-4-(iodomethyl)cyclopentane (PubChem CID 72541733) has the molecular formula C6H9F2I and a molecular weight of 246.04 g/mol. Its IUPAC name is 1,2-difluoro-4-(iodomethyl)cyclopentane.

Molecular Properties

Compound Name1,2-difluoro-4-(iodomethyl)cyclopentane
PubChem CID72541733
Molecular FormulaC6H9F2I
Molecular Weight246.04 g/mol
Exact Mass245.97
IUPAC Name1,2-difluoro-4-(iodomethyl)cyclopentane
SMILESFC1CC(CI)CC1F
InChIInChI=1S/C6H9F2I/c7-5-1-4(3-9)2-6(5)8/h4-6H,1-3H2
InChIKeyYIPVJJIGRLHJGA-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-(iodomethyl)cyclopentane?
The IUPAC name of 1,2-difluoro-4-(iodomethyl)cyclopentane (CID 72541733) is 1,2-difluoro-4-(iodomethyl)cyclopentane.
What is the SMILES notation for 1,2-difluoro-4-(iodomethyl)cyclopentane?
The canonical SMILES for 1,2-difluoro-4-(iodomethyl)cyclopentane is FC1CC(CI)CC1F.
What is the InChIKey of 1,2-difluoro-4-(iodomethyl)cyclopentane?
The InChIKey is YIPVJJIGRLHJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2I/c7-5-1-4(3-9)2-6(5)8/h4-6H,1-3H2.
What are the key properties of 1,2-difluoro-4-(iodomethyl)cyclopentane?
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 1,2-difluoro-4-(iodomethyl)cyclopentane is sourced from PubChem (CID 72541733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).