[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3,4-difluorophenyl)methanone

C19H23F2NO3 — CID 97419710

IUPAC[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCC[C@]2(C[C@H](OCC3CC3)CO2)C1
InChIInChI=1S/C19H23F2NO3/c20-16-5-4-14(8-17(16)21)18(23)22-7-1-6-19(12-22)9-15(11-25-19)24-10-13-2-3-13/h4-5,8,13,15H,1-3,6-7,9-12H2/t15-,19-/m0/s1
InChIKeyPFCYFFKXDFKCMB-KXBFYZLASA-N
MW351.39 g/mol
LogP3.16
Rot. Bonds4

About [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3,4-difluorophenyl)methanone

[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3,4-difluorophenyl)methanone (PubChem CID 97419710) has the molecular formula C19H23F2NO3 and a molecular weight of 351.39 g/mol. Its IUPAC name is [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3,4-difluorophenyl)methanone
PubChem CID97419710
Molecular FormulaC19H23F2NO3
Molecular Weight351.39 g/mol
Exact Mass351.16
IUPAC Name[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCC[C@]2(C[C@H](OCC3CC3)CO2)C1
InChIInChI=1S/C19H23F2NO3/c20-16-5-4-14(8-17(16)21)18(23)22-7-1-6-19(12-22)9-15(11-25-19)24-10-13-2-3-13/h4-5,8,13,15H,1-3,6-7,9-12H2/t15-,19-/m0/s1
InChIKeyPFCYFFKXDFKCMB-KXBFYZLASA-N
XLogP3.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3,4-difluorophenyl)methanone
CID 131659686
[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(3-fluoro-4-methylphenyl)methanone
CID 97419936
(3,4-difluorophenyl)-[(3R,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419415
[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-methyl-3-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 155831653
[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
CID 97419485
[(3S,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methyl-2-pyridinyl)methanone
CID 124792191
[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-methyl-2-pyridinyl)methanone
CID 97419705
[(3R,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-methyl-2-pyridinyl)methanone
CID 124813665
[(3R)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-difluorophenyl)methanone
CID 129358042
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-difluorophenyl)methanone
CID 119105495
[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1-phenylpyrazol-4-yl)methanone
CID 97394209
[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(4-methoxyphenyl)methanone
CID 97474497

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3,4-difluorophenyl)methanone?
The IUPAC name of [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3,4-difluorophenyl)methanone (CID 97419710) is [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3,4-difluorophenyl)methanone.
What is the SMILES notation for [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3,4-difluorophenyl)methanone?
The canonical SMILES for [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3,4-difluorophenyl)methanone is O=C(c1ccc(F)c(F)c1)N1CCC[C@]2(C[C@H](OCC3CC3)CO2)C1.
What is the InChIKey of [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3,4-difluorophenyl)methanone?
The InChIKey is PFCYFFKXDFKCMB-KXBFYZLASA-N. The full InChI is InChI=1S/C19H23F2NO3/c20-16-5-4-14(8-17(16)21)18(23)22-7-1-6-19(12-22)9-15(11-25-19)24-10-13-2-3-13/h4-5,8,13,15H,1-3,6-7,9-12H2/t15-,19-/m0/s1.
What are the key properties of [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3,4-difluorophenyl)methanone?
[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3,4-difluorophenyl)methanone has a molecular weight of 351.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3,4-difluorophenyl)methanone is sourced from PubChem (CID 97419710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).