(3,3-difluorocyclobutyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone

C17H26F2N2O2 — CID 97475229

IUPAC(3,3-difluorocyclobutyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESO=C(C1CC(F)(F)C1)N1CC[C@@]2(C[C@H](N3CCCC3)CCO2)C1
InChIInChI=1S/C17H26F2N2O2/c18-17(19)9-13(10-17)15(22)21-7-4-16(12-21)11-14(3-8-23-16)20-5-1-2-6-20/h13-14H,1-12H2/t14-,16-/m1/s1
InChIKeyRZPTYQPAXGYFBM-GDBMZVCRSA-N
MW328.40 g/mol
LogP2.28
Rot. Bonds2

About (3,3-difluorocyclobutyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone

(3,3-difluorocyclobutyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 97475229) has the molecular formula C17H26F2N2O2 and a molecular weight of 328.40 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID97475229
Molecular FormulaC17H26F2N2O2
Molecular Weight328.40 g/mol
Exact Mass328.20
IUPAC Name(3,3-difluorocyclobutyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESO=C(C1CC(F)(F)C1)N1CC[C@@]2(C[C@H](N3CCCC3)CCO2)C1
InChIInChI=1S/C17H26F2N2O2/c18-17(19)9-13(10-17)15(22)21-7-4-16(12-21)11-14(3-8-23-16)20-5-1-2-6-20/h13-14H,1-12H2/t14-,16-/m1/s1
InChIKeyRZPTYQPAXGYFBM-GDBMZVCRSA-N
XLogP2.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (3,3-difluorocyclobutyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone (CID 97475229) is (3,3-difluorocyclobutyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone is O=C(C1CC(F)(F)C1)N1CC[C@@]2(C[C@H](N3CCCC3)CCO2)C1.
What is the InChIKey of (3,3-difluorocyclobutyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is RZPTYQPAXGYFBM-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H26F2N2O2/c18-17(19)9-13(10-17)15(22)21-7-4-16(12-21)11-14(3-8-23-16)20-5-1-2-6-20/h13-14H,1-12H2/t14-,16-/m1/s1.
What are the key properties of (3,3-difluorocyclobutyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
(3,3-difluorocyclobutyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone has a molecular weight of 328.40 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 97475229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).