9-(3,4-dichlorophenyl)-8-oxa-11-azaspiro[5.6]dodecane

C16H21Cl2NO — CID 103968917

IUPAC9-(3,4-dichlorophenyl)-8-oxa-11-azaspiro[5.6]dodecane
SMILESClc1ccc(C2CNCC3(CCCCC3)CO2)cc1Cl
InChIInChI=1S/C16H21Cl2NO/c17-13-5-4-12(8-14(13)18)15-9-19-10-16(11-20-15)6-2-1-3-7-16/h4-5,8,15,19H,1-3,6-7,9-11H2
InChIKeyKNBHCLQBRPWLMG-UHFFFAOYSA-N
MW314.26 g/mol
LogP4.60
Rot. Bonds1

About 9-(3,4-dichlorophenyl)-8-oxa-11-azaspiro[5.6]dodecane

9-(3,4-dichlorophenyl)-8-oxa-11-azaspiro[5.6]dodecane (PubChem CID 103968917) has the molecular formula C16H21Cl2NO and a molecular weight of 314.26 g/mol. Its IUPAC name is 9-(3,4-dichlorophenyl)-8-oxa-11-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name9-(3,4-dichlorophenyl)-8-oxa-11-azaspiro[5.6]dodecane
PubChem CID103968917
Molecular FormulaC16H21Cl2NO
Molecular Weight314.26 g/mol
Exact Mass313.10
IUPAC Name9-(3,4-dichlorophenyl)-8-oxa-11-azaspiro[5.6]dodecane
SMILESClc1ccc(C2CNCC3(CCCCC3)CO2)cc1Cl
InChIInChI=1S/C16H21Cl2NO/c17-13-5-4-12(8-14(13)18)15-9-19-10-16(11-20-15)6-2-1-3-7-16/h4-5,8,15,19H,1-3,6-7,9-11H2
InChIKeyKNBHCLQBRPWLMG-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(3-bromophenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115361972
8-(4-tert-butylphenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115361978
8-[4-(trifluoromethyl)phenyl]-7-oxa-10-azaspiro[4.6]undecane
CID 115361991
9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968939
9-(2,4,6-trimethylphenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968892
9-(2-methylphenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968950
8-(3-methylthiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane
CID 113294388
8-(1-benzothiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane
CID 114910393
8-(2-methoxy-5-methylphenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115362003
(6R,11S)-11-(3,4-dichlorophenyl)-2-oxa-8-azaspiro[5.5]undecane
CID 46866510
2-(3-chloro-4-fluorophenyl)-1,4-oxazepane
CID 43498384
9-(methoxymethyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968945

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dichlorophenyl)-8-oxa-11-azaspiro[5.6]dodecane?
The IUPAC name of 9-(3,4-dichlorophenyl)-8-oxa-11-azaspiro[5.6]dodecane (CID 103968917) is 9-(3,4-dichlorophenyl)-8-oxa-11-azaspiro[5.6]dodecane.
What is the SMILES notation for 9-(3,4-dichlorophenyl)-8-oxa-11-azaspiro[5.6]dodecane?
The canonical SMILES for 9-(3,4-dichlorophenyl)-8-oxa-11-azaspiro[5.6]dodecane is Clc1ccc(C2CNCC3(CCCCC3)CO2)cc1Cl.
What is the InChIKey of 9-(3,4-dichlorophenyl)-8-oxa-11-azaspiro[5.6]dodecane?
The InChIKey is KNBHCLQBRPWLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO/c17-13-5-4-12(8-14(13)18)15-9-19-10-16(11-20-15)6-2-1-3-7-16/h4-5,8,15,19H,1-3,6-7,9-11H2.
What are the key properties of 9-(3,4-dichlorophenyl)-8-oxa-11-azaspiro[5.6]dodecane?
9-(3,4-dichlorophenyl)-8-oxa-11-azaspiro[5.6]dodecane has a molecular weight of 314.26 g/mol, XLogP of 4.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dichlorophenyl)-8-oxa-11-azaspiro[5.6]dodecane is sourced from PubChem (CID 103968917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).