8-[(1S,2R)-3,3-difluoro-2-hydroxycyclopentyl]-3-oxa-1,8-diazaspiro[4.5]decan-2-one

C12H18F2N2O3 — CID 166348898

IUPAC8-[(1S,2R)-3,3-difluoro-2-hydroxycyclopentyl]-3-oxa-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCN([C@H]3CCC(F)(F)[C@@H]3O)CC2)CO1
InChIInChI=1S/C12H18F2N2O3/c13-12(14)2-1-8(9(12)17)16-5-3-11(4-6-16)7-19-10(18)15-11/h8-9,17H,1-7H2,(H,15,18)/t8-,9+/m0/s1
InChIKeyVZUYXYFJUQZZMJ-DTWKUNHWSA-N
MW276.28 g/mol
LogP0.72
Rot. Bonds1

About 8-[(1S,2R)-3,3-difluoro-2-hydroxycyclopentyl]-3-oxa-1,8-diazaspiro[4.5]decan-2-one

8-[(1S,2R)-3,3-difluoro-2-hydroxycyclopentyl]-3-oxa-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 166348898) has the molecular formula C12H18F2N2O3 and a molecular weight of 276.28 g/mol. Its IUPAC name is 8-[(1S,2R)-3,3-difluoro-2-hydroxycyclopentyl]-3-oxa-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(1S,2R)-3,3-difluoro-2-hydroxycyclopentyl]-3-oxa-1,8-diazaspiro[4.5]decan-2-one
PubChem CID166348898
Molecular FormulaC12H18F2N2O3
Molecular Weight276.28 g/mol
Exact Mass276.13
IUPAC Name8-[(1S,2R)-3,3-difluoro-2-hydroxycyclopentyl]-3-oxa-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCN([C@H]3CCC(F)(F)[C@@H]3O)CC2)CO1
InChIInChI=1S/C12H18F2N2O3/c13-12(14)2-1-8(9(12)17)16-5-3-11(4-6-16)7-19-10(18)15-11/h8-9,17H,1-7H2,(H,15,18)/t8-,9+/m0/s1
InChIKeyVZUYXYFJUQZZMJ-DTWKUNHWSA-N
XLogP0.72
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(1S,2R)-3,3-difluoro-2-hydroxycyclopentyl]-3-oxa-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(1S,2R)-3,3-difluoro-2-hydroxycyclopentyl]-3-oxa-1,8-diazaspiro[4.5]decan-2-one (CID 166348898) is 8-[(1S,2R)-3,3-difluoro-2-hydroxycyclopentyl]-3-oxa-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(1S,2R)-3,3-difluoro-2-hydroxycyclopentyl]-3-oxa-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(1S,2R)-3,3-difluoro-2-hydroxycyclopentyl]-3-oxa-1,8-diazaspiro[4.5]decan-2-one is O=C1NC2(CCN([C@H]3CCC(F)(F)[C@@H]3O)CC2)CO1.
What is the InChIKey of 8-[(1S,2R)-3,3-difluoro-2-hydroxycyclopentyl]-3-oxa-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is VZUYXYFJUQZZMJ-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H18F2N2O3/c13-12(14)2-1-8(9(12)17)16-5-3-11(4-6-16)7-19-10(18)15-11/h8-9,17H,1-7H2,(H,15,18)/t8-,9+/m0/s1.
What are the key properties of 8-[(1S,2R)-3,3-difluoro-2-hydroxycyclopentyl]-3-oxa-1,8-diazaspiro[4.5]decan-2-one?
8-[(1S,2R)-3,3-difluoro-2-hydroxycyclopentyl]-3-oxa-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 276.28 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1S,2R)-3,3-difluoro-2-hydroxycyclopentyl]-3-oxa-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 166348898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).