2-(2-chloro-4-fluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one

C15H17ClFNO2 — CID 122672326

IUPAC2-(2-chloro-4-fluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc(F)cc2Cl)CCC12CCC(O)CC2
InChIInChI=1S/C15H17ClFNO2/c16-12-9-10(17)1-2-13(12)18-8-7-15(14(18)20)5-3-11(19)4-6-15/h1-2,9,11,19H,3-8H2
InChIKeyBYJIDMIUZOJZSQ-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.14
Rot. Bonds1

About 2-(2-chloro-4-fluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one

2-(2-chloro-4-fluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one (PubChem CID 122672326) has the molecular formula C15H17ClFNO2 and a molecular weight of 297.76 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one
PubChem CID122672326
Molecular FormulaC15H17ClFNO2
Molecular Weight297.76 g/mol
Exact Mass297.09
IUPAC Name2-(2-chloro-4-fluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc(F)cc2Cl)CCC12CCC(O)CC2
InChIInChI=1S/C15H17ClFNO2/c16-12-9-10(17)1-2-13(12)18-8-7-15(14(18)20)5-3-11(19)4-6-15/h1-2,9,11,19H,3-8H2
InChIKeyBYJIDMIUZOJZSQ-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-9-(2-chloro-3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 57970711
(5R)-9-(2-chloro-3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653254
8-Hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one
CID 66579984
8-Hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one
CID 66580064
9-(2-Chloro-3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 66722490
7-Amino-2-(3-fluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one
CID 70653952
7-Amino-2-(4-fluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one
CID 70653963
[2-(2-Chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl] methanesulfonate
CID 122672269
2-(4-Fluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one
CID 122672476
2-(2-Chloro-4-fluorophenyl)-2-azaspiro[4.5]decane-1,8-dione
CID 122672532
2-(3,5-Difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one
CID 122672553
2-(2-Chloro-4-fluorophenyl)-9-hydroxy-2-azaspiro[5.5]undecan-1-one
CID 122672577

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one (CID 122672326) is 2-(2-chloro-4-fluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one is O=C1N(c2ccc(F)cc2Cl)CCC12CCC(O)CC2.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one?
The InChIKey is BYJIDMIUZOJZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO2/c16-12-9-10(17)1-2-13(12)18-8-7-15(14(18)20)5-3-11(19)4-6-15/h1-2,9,11,19H,3-8H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one?
2-(2-chloro-4-fluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one has a molecular weight of 297.76 g/mol, XLogP of 3.14, 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)-8-hydroxy-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 122672326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).