3-chloro-1-(2-fluoro-3-methylphenoxy)spiro[3.4]octane

C15H18ClFO — CID 107662297

IUPAC3-chloro-1-(2-fluoro-3-methylphenoxy)spiro[3.4]octane
SMILESCc1cccc(OC2CC(Cl)C23CCCC3)c1F
InChIInChI=1S/C15H18ClFO/c1-10-5-4-6-11(14(10)17)18-13-9-12(16)15(13)7-2-3-8-15/h4-6,12-13H,2-3,7-9H2,1H3
InChIKeyGGFZNEFWRQZOEO-UHFFFAOYSA-N
MW268.76 g/mol
LogP4.45
Rot. Bonds2

About 3-chloro-1-(2-fluoro-3-methylphenoxy)spiro[3.4]octane

3-chloro-1-(2-fluoro-3-methylphenoxy)spiro[3.4]octane (PubChem CID 107662297) has the molecular formula C15H18ClFO and a molecular weight of 268.76 g/mol. Its IUPAC name is 3-chloro-1-(2-fluoro-3-methylphenoxy)spiro[3.4]octane.

Molecular Properties

Compound Name3-chloro-1-(2-fluoro-3-methylphenoxy)spiro[3.4]octane
PubChem CID107662297
Molecular FormulaC15H18ClFO
Molecular Weight268.76 g/mol
Exact Mass268.10
IUPAC Name3-chloro-1-(2-fluoro-3-methylphenoxy)spiro[3.4]octane
SMILESCc1cccc(OC2CC(Cl)C23CCCC3)c1F
InChIInChI=1S/C15H18ClFO/c1-10-5-4-6-11(14(10)17)18-13-9-12(16)15(13)7-2-3-8-15/h4-6,12-13H,2-3,7-9H2,1H3
InChIKeyGGFZNEFWRQZOEO-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.76
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-1-(2-fluoro-3-methylphenoxy)spiro[3.4]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-1-(5-fluoro-2-methylphenoxy)spiro[3.4]octane
CID 102988661
3-(2-fluoro-3-methylphenoxy)spiro[3.6]decan-1-ol
CID 107662269
1-(3-chloro-2,2-dimethylcyclobutyl)oxy-2-fluoro-3-methylbenzene
CID 107662299
N-ethyl-3-(2-fluoro-3-methylphenoxy)spiro[3.5]nonan-1-amine
CID 107662355
3-chloro-1-(2-ethylphenoxy)spiro[3.4]octane
CID 66344289
1-(3-chlorospiro[3.5]nonan-1-yl)oxynaphthalene
CID 66345484
3-chloro-1-(2-chloro-4-fluorophenoxy)spiro[3.6]decane
CID 66345162
3-chloro-1-(2-ethylphenoxy)spiro[3.6]decane
CID 66343872
1-(4-bromo-2-methylphenoxy)-3-chlorospiro[3.6]decane
CID 66345790
8-(3-chlorospiro[3.4]octan-1-yl)oxyquinoline
CID 66344472
5-(3-chlorospiro[3.4]octan-1-yl)oxyquinoline
CID 103046070
3-chloro-1-(2,6-dibromophenoxy)spiro[3.4]octane
CID 66345711

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2-fluoro-3-methylphenoxy)spiro[3.4]octane?
The IUPAC name of 3-chloro-1-(2-fluoro-3-methylphenoxy)spiro[3.4]octane (CID 107662297) is 3-chloro-1-(2-fluoro-3-methylphenoxy)spiro[3.4]octane.
What is the SMILES notation for 3-chloro-1-(2-fluoro-3-methylphenoxy)spiro[3.4]octane?
The canonical SMILES for 3-chloro-1-(2-fluoro-3-methylphenoxy)spiro[3.4]octane is Cc1cccc(OC2CC(Cl)C23CCCC3)c1F.
What is the InChIKey of 3-chloro-1-(2-fluoro-3-methylphenoxy)spiro[3.4]octane?
The InChIKey is GGFZNEFWRQZOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFO/c1-10-5-4-6-11(14(10)17)18-13-9-12(16)15(13)7-2-3-8-15/h4-6,12-13H,2-3,7-9H2,1H3.
What are the key properties of 3-chloro-1-(2-fluoro-3-methylphenoxy)spiro[3.4]octane?
3-chloro-1-(2-fluoro-3-methylphenoxy)spiro[3.4]octane has a molecular weight of 268.76 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2-fluoro-3-methylphenoxy)spiro[3.4]octane is sourced from PubChem (CID 107662297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).