1-chloro-2-fluoro-3-(iodomethyl)cyclohexane

C7H11ClFI — CID 126636964

IUPAC1-chloro-2-fluoro-3-(iodomethyl)cyclohexane
SMILESFC1C(Cl)CCCC1CI
InChIInChI=1S/C7H11ClFI/c8-6-3-1-2-5(4-10)7(6)9/h5-7H,1-4H2
InChIKeyADRVMVKVLOVZCH-UHFFFAOYSA-N
MW276.52 g/mol
LogP3.17
Rot. Bonds1

About 1-chloro-2-fluoro-3-(iodomethyl)cyclohexane

1-chloro-2-fluoro-3-(iodomethyl)cyclohexane (PubChem CID 126636964) has the molecular formula C7H11ClFI and a molecular weight of 276.52 g/mol. Its IUPAC name is 1-chloro-2-fluoro-3-(iodomethyl)cyclohexane.

Molecular Properties

Compound Name1-chloro-2-fluoro-3-(iodomethyl)cyclohexane
PubChem CID126636964
Molecular FormulaC7H11ClFI
Molecular Weight276.52 g/mol
Exact Mass275.96
IUPAC Name1-chloro-2-fluoro-3-(iodomethyl)cyclohexane
SMILESFC1C(Cl)CCCC1CI
InChIInChI=1S/C7H11ClFI/c8-6-3-1-2-5(4-10)7(6)9/h5-7H,1-4H2
InChIKeyADRVMVKVLOVZCH-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.52
LogP ≤ 53.17
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-chloro-2-fluoro-3-(iodomethyl)cyclohexane?
The IUPAC name of 1-chloro-2-fluoro-3-(iodomethyl)cyclohexane (CID 126636964) is 1-chloro-2-fluoro-3-(iodomethyl)cyclohexane.
What is the SMILES notation for 1-chloro-2-fluoro-3-(iodomethyl)cyclohexane?
The canonical SMILES for 1-chloro-2-fluoro-3-(iodomethyl)cyclohexane is FC1C(Cl)CCCC1CI.
What is the InChIKey of 1-chloro-2-fluoro-3-(iodomethyl)cyclohexane?
The InChIKey is ADRVMVKVLOVZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClFI/c8-6-3-1-2-5(4-10)7(6)9/h5-7H,1-4H2.
What are the key properties of 1-chloro-2-fluoro-3-(iodomethyl)cyclohexane?
1-chloro-2-fluoro-3-(iodomethyl)cyclohexane has a molecular weight of 276.52 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-3-(iodomethyl)cyclohexane is sourced from PubChem (CID 126636964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).