3-[(4-fluorophenyl)methyl]-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-one

C18H24FNO2 — CID 67986635

IUPAC3-[(4-fluorophenyl)methyl]-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-one
SMILESCC(C)N1CCC2(CC1)CC(Cc1ccc(F)cc1)C(=O)O2
InChIInChI=1S/C18H24FNO2/c1-13(2)20-9-7-18(8-10-20)12-15(17(21)22-18)11-14-3-5-16(19)6-4-14/h3-6,13,15H,7-12H2,1-2H3
InChIKeyNIHNTBPHWVTQNF-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.17
Rot. Bonds3

About 3-[(4-fluorophenyl)methyl]-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-one

3-[(4-fluorophenyl)methyl]-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-one (PubChem CID 67986635) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-one
PubChem CID67986635
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC Name3-[(4-fluorophenyl)methyl]-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-one
SMILESCC(C)N1CCC2(CC1)CC(Cc1ccc(F)cc1)C(=O)O2
InChIInChI=1S/C18H24FNO2/c1-13(2)20-9-7-18(8-10-20)12-15(17(21)22-18)11-14-3-5-16(19)6-4-14/h3-6,13,15H,7-12H2,1-2H3
InChIKeyNIHNTBPHWVTQNF-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-one (CID 67986635) is 3-[(4-fluorophenyl)methyl]-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-one is CC(C)N1CCC2(CC1)CC(Cc1ccc(F)cc1)C(=O)O2.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-one?
The InChIKey is NIHNTBPHWVTQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO2/c1-13(2)20-9-7-18(8-10-20)12-15(17(21)22-18)11-14-3-5-16(19)6-4-14/h3-6,13,15H,7-12H2,1-2H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-one?
3-[(4-fluorophenyl)methyl]-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-one has a molecular weight of 305.39 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 67986635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).