3-chloro-1-(5-fluoro-2-methylphenoxy)spiro[3.4]octane

C15H18ClFO — CID 102988661

IUPAC3-chloro-1-(5-fluoro-2-methylphenoxy)spiro[3.4]octane
SMILESCc1ccc(F)cc1OC1CC(Cl)C12CCCC2
InChIInChI=1S/C15H18ClFO/c1-10-4-5-11(17)8-12(10)18-14-9-13(16)15(14)6-2-3-7-15/h4-5,8,13-14H,2-3,6-7,9H2,1H3
InChIKeyJAXYHYYGRBCDTD-UHFFFAOYSA-N
MW268.76 g/mol
LogP4.45
Rot. Bonds2

About 3-chloro-1-(5-fluoro-2-methylphenoxy)spiro[3.4]octane

3-chloro-1-(5-fluoro-2-methylphenoxy)spiro[3.4]octane (PubChem CID 102988661) has the molecular formula C15H18ClFO and a molecular weight of 268.76 g/mol. Its IUPAC name is 3-chloro-1-(5-fluoro-2-methylphenoxy)spiro[3.4]octane.

Molecular Properties

Compound Name3-chloro-1-(5-fluoro-2-methylphenoxy)spiro[3.4]octane
PubChem CID102988661
Molecular FormulaC15H18ClFO
Molecular Weight268.76 g/mol
Exact Mass268.10
IUPAC Name3-chloro-1-(5-fluoro-2-methylphenoxy)spiro[3.4]octane
SMILESCc1ccc(F)cc1OC1CC(Cl)C12CCCC2
InChIInChI=1S/C15H18ClFO/c1-10-4-5-11(17)8-12(10)18-14-9-13(16)15(14)6-2-3-7-15/h4-5,8,13-14H,2-3,6-7,9H2,1H3
InChIKeyJAXYHYYGRBCDTD-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'}

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Related Compounds

3-chloro-1-(2-fluoro-3-methylphenoxy)spiro[3.4]octane
CID 107662297
3-chloro-1-(2-chloro-4-fluorophenoxy)spiro[3.6]decane
CID 66345162
1-(4-bromo-2-methylphenoxy)-3-chlorospiro[3.6]decane
CID 66345790
3-chloro-1-(2-ethylphenoxy)spiro[3.4]octane
CID 66344289
3-chloro-1-(2-ethylphenoxy)spiro[3.6]decane
CID 66343872
1-(3-chlorospiro[3.5]nonan-1-yl)oxynaphthalene
CID 66345484
3-chloro-1-(2,4-dibromophenoxy)spiro[3.5]nonane
CID 66346019
3-(5-bromo-2-methylphenoxy)spiro[3.4]octan-1-amine
CID 107287279
3-chloro-1-(4-methoxyphenoxy)spiro[3.4]octane
CID 66343590
1-(5-bromo-2-chlorophenoxy)-3-chlorospiro[3.6]decane
CID 66345592
2-cyclohexyloxy-4-fluoro-1-methylbenzene
CID 102990540
3-chloro-1-(4-methoxyphenoxy)spiro[3.5]nonane
CID 66346319

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(5-fluoro-2-methylphenoxy)spiro[3.4]octane?
The IUPAC name of 3-chloro-1-(5-fluoro-2-methylphenoxy)spiro[3.4]octane (CID 102988661) is 3-chloro-1-(5-fluoro-2-methylphenoxy)spiro[3.4]octane.
What is the SMILES notation for 3-chloro-1-(5-fluoro-2-methylphenoxy)spiro[3.4]octane?
The canonical SMILES for 3-chloro-1-(5-fluoro-2-methylphenoxy)spiro[3.4]octane is Cc1ccc(F)cc1OC1CC(Cl)C12CCCC2.
What is the InChIKey of 3-chloro-1-(5-fluoro-2-methylphenoxy)spiro[3.4]octane?
The InChIKey is JAXYHYYGRBCDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFO/c1-10-4-5-11(17)8-12(10)18-14-9-13(16)15(14)6-2-3-7-15/h4-5,8,13-14H,2-3,6-7,9H2,1H3.
What are the key properties of 3-chloro-1-(5-fluoro-2-methylphenoxy)spiro[3.4]octane?
3-chloro-1-(5-fluoro-2-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-(5-fluoro-2-methylphenoxy)spiro[3.4]octane is sourced from PubChem (CID 102988661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).