9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane

C15H19ClFNO — CID 86771401

IUPAC9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane
SMILESFc1cccc(Cl)c1CN1CCOCC2(CCC2)C1
InChIInChI=1S/C15H19ClFNO/c16-13-3-1-4-14(17)12(13)9-18-7-8-19-11-15(10-18)5-2-6-15/h1,3-4H,2,5-11H2
InChIKeyQAEVKICZSYUSRZ-UHFFFAOYSA-N
MW283.77 g/mol
LogP3.48
Rot. Bonds2

About 9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane

9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane (PubChem CID 86771401) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is 9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane.

Molecular Properties

Compound Name9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane
PubChem CID86771401
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC Name9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane
SMILESFc1cccc(Cl)c1CN1CCOCC2(CCC2)C1
InChIInChI=1S/C15H19ClFNO/c16-13-3-1-4-14(17)12(13)9-18-7-8-19-11-15(10-18)5-2-6-15/h1,3-4H,2,5-11H2
InChIKeyQAEVKICZSYUSRZ-UHFFFAOYSA-N
XLogP3.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane?
The IUPAC name of 9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane (CID 86771401) is 9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane.
What is the SMILES notation for 9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane?
The canonical SMILES for 9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane is Fc1cccc(Cl)c1CN1CCOCC2(CCC2)C1.
What is the InChIKey of 9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane?
The InChIKey is QAEVKICZSYUSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c16-13-3-1-4-14(17)12(13)9-18-7-8-19-11-15(10-18)5-2-6-15/h1,3-4H,2,5-11H2.
What are the key properties of 9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane?
9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane has a molecular weight of 283.77 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane is sourced from PubChem (CID 86771401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).