4-(4-fluorophenyl)-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]butan-1-one

C19H26FNO3 — CID 97150226

IUPAC4-(4-fluorophenyl)-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]butan-1-one
SMILESO=C(CCCc1ccc(F)cc1)N1CCC2(CC1)OCCC[C@@H]2O
InChIInChI=1S/C19H26FNO3/c20-16-8-6-15(7-9-16)3-1-5-18(23)21-12-10-19(11-13-21)17(22)4-2-14-24-19/h6-9,17,22H,1-5,10-14H2/t17-/m0/s1
InChIKeyAYFHNPGMPJSTFQ-KRWDZBQOSA-N
MW335.42 g/mol
LogP2.68
Rot. Bonds4

About 4-(4-fluorophenyl)-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]butan-1-one

4-(4-fluorophenyl)-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]butan-1-one (PubChem CID 97150226) has the molecular formula C19H26FNO3 and a molecular weight of 335.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]butan-1-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]butan-1-one
PubChem CID97150226
Molecular FormulaC19H26FNO3
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name4-(4-fluorophenyl)-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]butan-1-one
SMILESO=C(CCCc1ccc(F)cc1)N1CCC2(CC1)OCCC[C@@H]2O
InChIInChI=1S/C19H26FNO3/c20-16-8-6-15(7-9-16)3-1-5-18(23)21-12-10-19(11-13-21)17(22)4-2-14-24-19/h6-9,17,22H,1-5,10-14H2/t17-/m0/s1
InChIKeyAYFHNPGMPJSTFQ-KRWDZBQOSA-N
XLogP2.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]butan-1-one?
The IUPAC name of 4-(4-fluorophenyl)-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]butan-1-one (CID 97150226) is 4-(4-fluorophenyl)-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]butan-1-one.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]butan-1-one?
The canonical SMILES for 4-(4-fluorophenyl)-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]butan-1-one is O=C(CCCc1ccc(F)cc1)N1CCC2(CC1)OCCC[C@@H]2O.
What is the InChIKey of 4-(4-fluorophenyl)-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]butan-1-one?
The InChIKey is AYFHNPGMPJSTFQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26FNO3/c20-16-8-6-15(7-9-16)3-1-5-18(23)21-12-10-19(11-13-21)17(22)4-2-14-24-19/h6-9,17,22H,1-5,10-14H2/t17-/m0/s1.
What are the key properties of 4-(4-fluorophenyl)-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]butan-1-one?
4-(4-fluorophenyl)-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]butan-1-one has a molecular weight of 335.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]butan-1-one is sourced from PubChem (CID 97150226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).