4'-(chloromethyl)-6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]

C12H12ClFO2 — CID 116532625

IUPAC4'-(chloromethyl)-6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
SMILESFc1ccc2c(c1)CCC21OCC(CCl)O1
InChIInChI=1S/C12H12ClFO2/c13-6-10-7-15-12(16-10)4-3-8-5-9(14)1-2-11(8)12/h1-2,5,10H,3-4,6-7H2
InChIKeyUKKDPQGYXDCMMM-UHFFFAOYSA-N
MW242.68 g/mol
LogP2.58
Rot. Bonds1

About 4'-(chloromethyl)-6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]

4'-(chloromethyl)-6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] (PubChem CID 116532625) has the molecular formula C12H12ClFO2 and a molecular weight of 242.68 g/mol. Its IUPAC name is 4'-(chloromethyl)-6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane].

Molecular Properties

Compound Name4'-(chloromethyl)-6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
PubChem CID116532625
Molecular FormulaC12H12ClFO2
Molecular Weight242.68 g/mol
Exact Mass242.05
IUPAC Name4'-(chloromethyl)-6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
SMILESFc1ccc2c(c1)CCC21OCC(CCl)O1
InChIInChI=1S/C12H12ClFO2/c13-6-10-7-15-12(16-10)4-3-8-5-9(14)1-2-11(8)12/h1-2,5,10H,3-4,6-7H2
InChIKeyUKKDPQGYXDCMMM-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4'-(chloromethyl)-6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The IUPAC name of 4'-(chloromethyl)-6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] (CID 116532625) is 4'-(chloromethyl)-6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane].
What is the SMILES notation for 4'-(chloromethyl)-6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The canonical SMILES for 4'-(chloromethyl)-6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] is Fc1ccc2c(c1)CCC21OCC(CCl)O1.
What is the InChIKey of 4'-(chloromethyl)-6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The InChIKey is UKKDPQGYXDCMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFO2/c13-6-10-7-15-12(16-10)4-3-8-5-9(14)1-2-11(8)12/h1-2,5,10H,3-4,6-7H2.
What are the key properties of 4'-(chloromethyl)-6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
4'-(chloromethyl)-6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] has a molecular weight of 242.68 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(chloromethyl)-6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] is sourced from PubChem (CID 116532625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).