2-(2-chloro-4-fluorophenyl)-9-hydroxy-2-azaspiro[5.5]undecan-1-one

C16H19ClFNO2 — CID 122672577

IUPAC2-(2-chloro-4-fluorophenyl)-9-hydroxy-2-azaspiro[5.5]undecan-1-one
SMILESO=C1N(c2ccc(F)cc2Cl)CCCC12CCC(O)CC2
InChIInChI=1S/C16H19ClFNO2/c17-13-10-11(18)2-3-14(13)19-9-1-6-16(15(19)21)7-4-12(20)5-8-16/h2-3,10,12,20H,1,4-9H2
InChIKeyHKPDFVHHHNKTQP-UHFFFAOYSA-N
MW311.78 g/mol
LogP3.53
Rot. Bonds1

About 2-(2-chloro-4-fluorophenyl)-9-hydroxy-2-azaspiro[5.5]undecan-1-one

2-(2-chloro-4-fluorophenyl)-9-hydroxy-2-azaspiro[5.5]undecan-1-one (PubChem CID 122672577) has the molecular formula C16H19ClFNO2 and a molecular weight of 311.78 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-9-hydroxy-2-azaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-9-hydroxy-2-azaspiro[5.5]undecan-1-one
PubChem CID122672577
Molecular FormulaC16H19ClFNO2
Molecular Weight311.78 g/mol
Exact Mass311.11
IUPAC Name2-(2-chloro-4-fluorophenyl)-9-hydroxy-2-azaspiro[5.5]undecan-1-one
SMILESO=C1N(c2ccc(F)cc2Cl)CCCC12CCC(O)CC2
InChIInChI=1S/C16H19ClFNO2/c17-13-10-11(18)2-3-14(13)19-9-1-6-16(15(19)21)7-4-12(20)5-8-16/h2-3,10,12,20H,1,4-9H2
InChIKeyHKPDFVHHHNKTQP-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.78
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-9-hydroxy-2-azaspiro[5.5]undecan-1-one?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-9-hydroxy-2-azaspiro[5.5]undecan-1-one (CID 122672577) is 2-(2-chloro-4-fluorophenyl)-9-hydroxy-2-azaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-9-hydroxy-2-azaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-9-hydroxy-2-azaspiro[5.5]undecan-1-one is O=C1N(c2ccc(F)cc2Cl)CCCC12CCC(O)CC2.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-9-hydroxy-2-azaspiro[5.5]undecan-1-one?
The InChIKey is HKPDFVHHHNKTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO2/c17-13-10-11(18)2-3-14(13)19-9-1-6-16(15(19)21)7-4-12(20)5-8-16/h2-3,10,12,20H,1,4-9H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-9-hydroxy-2-azaspiro[5.5]undecan-1-one?
2-(2-chloro-4-fluorophenyl)-9-hydroxy-2-azaspiro[5.5]undecan-1-one has a molecular weight of 311.78 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-9-hydroxy-2-azaspiro[5.5]undecan-1-one is sourced from PubChem (CID 122672577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).