1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluoropropan-2-ol

C10H18FNO3 — CID 130946967

IUPAC1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluoropropan-2-ol
SMILESOC(CF)CN1CCCC2(C1)OCCO2
InChIInChI=1S/C10H18FNO3/c11-6-9(13)7-12-3-1-2-10(8-12)14-4-5-15-10/h9,13H,1-8H2
InChIKeyVYXSNNXOYCWFHJ-UHFFFAOYSA-N
MW219.26 g/mol
LogP0.16
Rot. Bonds3

About 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluoropropan-2-ol

1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluoropropan-2-ol (PubChem CID 130946967) has the molecular formula C10H18FNO3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluoropropan-2-ol.

Molecular Properties

Compound Name1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluoropropan-2-ol
PubChem CID130946967
Molecular FormulaC10H18FNO3
Molecular Weight219.26 g/mol
Exact Mass219.13
IUPAC Name1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluoropropan-2-ol
SMILESOC(CF)CN1CCCC2(C1)OCCO2
InChIInChI=1S/C10H18FNO3/c11-6-9(13)7-12-3-1-2-10(8-12)14-4-5-15-10/h9,13H,1-8H2
InChIKeyVYXSNNXOYCWFHJ-UHFFFAOYSA-N
XLogP0.16
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluoropropan-2-ol?
The IUPAC name of 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluoropropan-2-ol (CID 130946967) is 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluoropropan-2-ol.
What is the SMILES notation for 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluoropropan-2-ol?
The canonical SMILES for 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluoropropan-2-ol is OC(CF)CN1CCCC2(C1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluoropropan-2-ol?
The InChIKey is VYXSNNXOYCWFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO3/c11-6-9(13)7-12-3-1-2-10(8-12)14-4-5-15-10/h9,13H,1-8H2.
What are the key properties of 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluoropropan-2-ol?
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluoropropan-2-ol has a molecular weight of 219.26 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluoropropan-2-ol is sourced from PubChem (CID 130946967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).