3-chloro-1-(2,2-difluoroethoxy)spiro[3.4]octane

C10H15ClF2O — CID 82009453

IUPAC3-chloro-1-(2,2-difluoroethoxy)spiro[3.4]octane
SMILESFC(F)COC1CC(Cl)C12CCCC2
InChIInChI=1S/C10H15ClF2O/c11-7-5-8(14-6-9(12)13)10(7)3-1-2-4-10/h7-9H,1-6H2
InChIKeyHCFQZPQSHQVUPO-UHFFFAOYSA-N
MW224.68 g/mol
LogP3.21
Rot. Bonds3

About 3-chloro-1-(2,2-difluoroethoxy)spiro[3.4]octane

3-chloro-1-(2,2-difluoroethoxy)spiro[3.4]octane (PubChem CID 82009453) has the molecular formula C10H15ClF2O and a molecular weight of 224.68 g/mol. Its IUPAC name is 3-chloro-1-(2,2-difluoroethoxy)spiro[3.4]octane.

Molecular Properties

Compound Name3-chloro-1-(2,2-difluoroethoxy)spiro[3.4]octane
PubChem CID82009453
Molecular FormulaC10H15ClF2O
Molecular Weight224.68 g/mol
Exact Mass224.08
IUPAC Name3-chloro-1-(2,2-difluoroethoxy)spiro[3.4]octane
SMILESFC(F)COC1CC(Cl)C12CCCC2
InChIInChI=1S/C10H15ClF2O/c11-7-5-8(14-6-9(12)13)10(7)3-1-2-4-10/h7-9H,1-6H2
InChIKeyHCFQZPQSHQVUPO-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.68
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-difluoroethoxy)-N-methylspiro[3.6]decan-1-amine
CID 82009336
3-chloro-1-(2-ethylhexoxy)spiro[3.4]octane
CID 66344483
2-chloro-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane
CID 82009791
3-chloro-1-(2-methoxyethoxy)spiro[3.4]octane
CID 66346140
3-chloro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane
CID 102723538
3-chloro-1-cycloheptyloxyspiro[3.6]decane
CID 66345621
3-chloro-1-(2-phenoxyethoxy)spiro[3.4]octane
CID 66346345
3-chloro-1-[2-(3-methoxypropoxy)ethoxy]spiro[3.6]decane
CID 103176169
3-chloro-1-pentan-2-yloxyspiro[3.5]nonane
CID 102988681
3-chloro-1-[(4-methoxyphenyl)methoxy]spiro[3.5]nonane
CID 66344469
3-bromo-1-(2-methylpropoxy)spiro[3.4]octane
CID 66346348
3-chloro-1-octan-2-yloxyspiro[3.4]octane
CID 66343644

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2,2-difluoroethoxy)spiro[3.4]octane?
The IUPAC name of 3-chloro-1-(2,2-difluoroethoxy)spiro[3.4]octane (CID 82009453) is 3-chloro-1-(2,2-difluoroethoxy)spiro[3.4]octane.
What is the SMILES notation for 3-chloro-1-(2,2-difluoroethoxy)spiro[3.4]octane?
The canonical SMILES for 3-chloro-1-(2,2-difluoroethoxy)spiro[3.4]octane is FC(F)COC1CC(Cl)C12CCCC2.
What is the InChIKey of 3-chloro-1-(2,2-difluoroethoxy)spiro[3.4]octane?
The InChIKey is HCFQZPQSHQVUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF2O/c11-7-5-8(14-6-9(12)13)10(7)3-1-2-4-10/h7-9H,1-6H2.
What are the key properties of 3-chloro-1-(2,2-difluoroethoxy)spiro[3.4]octane?
3-chloro-1-(2,2-difluoroethoxy)spiro[3.4]octane has a molecular weight of 224.68 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2,2-difluoroethoxy)spiro[3.4]octane is sourced from PubChem (CID 82009453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).