(5S,6S)-8-[(4-chloro-2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol

C15H19ClFNO2 — CID 110159623

IUPAC(5S,6S)-8-[(4-chloro-2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
SMILESO[C@H]1CN(Cc2ccc(Cl)cc2F)CC[C@@]12CCCO2
InChIInChI=1S/C15H19ClFNO2/c16-12-3-2-11(13(17)8-12)9-18-6-5-15(14(19)10-18)4-1-7-20-15/h2-3,8,14,19H,1,4-7,9-10H2/t14-,15-/m0/s1
InChIKeyDCYHMBYJBCSXJK-GJZGRUSLSA-N
MW299.77 g/mol
LogP2.59
Rot. Bonds2

About (5S,6S)-8-[(4-chloro-2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol

(5S,6S)-8-[(4-chloro-2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol (PubChem CID 110159623) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is (5S,6S)-8-[(4-chloro-2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol.

Molecular Properties

Compound Name(5S,6S)-8-[(4-chloro-2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
PubChem CID110159623
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Name(5S,6S)-8-[(4-chloro-2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
SMILESO[C@H]1CN(Cc2ccc(Cl)cc2F)CC[C@@]12CCCO2
InChIInChI=1S/C15H19ClFNO2/c16-12-3-2-11(13(17)8-12)9-18-6-5-15(14(19)10-18)4-1-7-20-15/h2-3,8,14,19H,1,4-7,9-10H2/t14-,15-/m0/s1
InChIKeyDCYHMBYJBCSXJK-GJZGRUSLSA-N
XLogP2.59
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,6S)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110156016
(5S,6S)-8-[(3-methyl-4-pyridinyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110155900
(5S,6S)-8-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110156761
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylazepan-4-ol
CID 107408211
2-(3-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110159723
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylpiperidin-3-ol
CID 105357465
(3S,4R)-1-[(4-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol
CID 134714356
[(4aS,8aS)-7-[(4-chloro-2-fluorophenyl)methyl]-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol
CID 135115012
4-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylmorpholine
CID 131930506
(5S,6S)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110155828
(5S,6S)-8-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110156656
[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844387

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-8-[(4-chloro-2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol?
The IUPAC name of (5S,6S)-8-[(4-chloro-2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol (CID 110159623) is (5S,6S)-8-[(4-chloro-2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol.
What is the SMILES notation for (5S,6S)-8-[(4-chloro-2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol?
The canonical SMILES for (5S,6S)-8-[(4-chloro-2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol is O[C@H]1CN(Cc2ccc(Cl)cc2F)CC[C@@]12CCCO2.
What is the InChIKey of (5S,6S)-8-[(4-chloro-2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol?
The InChIKey is DCYHMBYJBCSXJK-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c16-12-3-2-11(13(17)8-12)9-18-6-5-15(14(19)10-18)4-1-7-20-15/h2-3,8,14,19H,1,4-7,9-10H2/t14-,15-/m0/s1.
What are the key properties of (5S,6S)-8-[(4-chloro-2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol?
(5S,6S)-8-[(4-chloro-2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol has a molecular weight of 299.77 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-8-[(4-chloro-2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol is sourced from PubChem (CID 110159623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).