(3,5-difluorophenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C15H17F2NO3 — CID 110159606

IUPAC(3,5-difluorophenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESO=C(c1cc(F)cc(F)c1)N1CC[C@@]2(CCCO2)[C@@H](O)C1
InChIInChI=1S/C15H17F2NO3/c16-11-6-10(7-12(17)8-11)14(20)18-4-3-15(13(19)9-18)2-1-5-21-15/h6-8,13,19H,1-5,9H2/t13-,15-/m0/s1
InChIKeyAMKVHHNGESUYDT-ZFWWWQNUSA-N
MW297.30 g/mol
LogP1.72
Rot. Bonds1

About (3,5-difluorophenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

(3,5-difluorophenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 110159606) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is (3,5-difluorophenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID110159606
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name(3,5-difluorophenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESO=C(c1cc(F)cc(F)c1)N1CC[C@@]2(CCCO2)[C@@H](O)C1
InChIInChI=1S/C15H17F2NO3/c16-11-6-10(7-12(17)8-11)14(20)18-4-3-15(13(19)9-18)2-1-5-21-15/h6-8,13,19H,1-5,9H2/t13-,15-/m0/s1
InChIKeyAMKVHHNGESUYDT-ZFWWWQNUSA-N
XLogP1.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-methylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159563
[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(4-methoxyphenyl)methanone
CID 110156366
(4-ethylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159527
[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,2-oxazol-3-yl)methanone
CID 110155802
3-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one
CID 110156204
[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methyl-2-pyridinyl)methanone
CID 110156165
(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159487
(5S,6S)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110156016
(2,6-dimethyl-4-pyridinyl)-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 99930019
[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110159848
4-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-4-oxobutanoic acid
CID 110155869
(4-ethylthiadiazol-5-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110156524

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (3,5-difluorophenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 110159606) is (3,5-difluorophenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (3,5-difluorophenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (3,5-difluorophenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is O=C(c1cc(F)cc(F)c1)N1CC[C@@]2(CCCO2)[C@@H](O)C1.
What is the InChIKey of (3,5-difluorophenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is AMKVHHNGESUYDT-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H17F2NO3/c16-11-6-10(7-12(17)8-11)14(20)18-4-3-15(13(19)9-18)2-1-5-21-15/h6-8,13,19H,1-5,9H2/t13-,15-/m0/s1.
What are the key properties of (3,5-difluorophenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
(3,5-difluorophenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 297.30 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 110159606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).