3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2,2-difluoropropan-1-ol

C12H21F2NO3 — CID 106176815

IUPAC3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNC1CCOC2(CCOCC2)C1
InChIInChI=1S/C12H21F2NO3/c13-12(14,9-16)8-15-10-1-4-18-11(7-10)2-5-17-6-3-11/h10,15-16H,1-9H2
InChIKeyFSPJYSVUBZJLCY-UHFFFAOYSA-N
MW265.30 g/mol
LogP0.93
Rot. Bonds4

About 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2,2-difluoropropan-1-ol

3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2,2-difluoropropan-1-ol (PubChem CID 106176815) has the molecular formula C12H21F2NO3 and a molecular weight of 265.30 g/mol. Its IUPAC name is 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2,2-difluoropropan-1-ol
PubChem CID106176815
Molecular FormulaC12H21F2NO3
Molecular Weight265.30 g/mol
Exact Mass265.15
IUPAC Name3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNC1CCOC2(CCOCC2)C1
InChIInChI=1S/C12H21F2NO3/c13-12(14,9-16)8-15-10-1-4-18-11(7-10)2-5-17-6-3-11/h10,15-16H,1-9H2
InChIKeyFSPJYSVUBZJLCY-UHFFFAOYSA-N
XLogP0.93
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2,2-difluoropropan-1-ol (CID 106176815) is 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2,2-difluoropropan-1-ol is OCC(F)(F)CNC1CCOC2(CCOCC2)C1.
What is the InChIKey of 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2,2-difluoropropan-1-ol?
The InChIKey is FSPJYSVUBZJLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO3/c13-12(14,9-16)8-15-10-1-4-18-11(7-10)2-5-17-6-3-11/h10,15-16H,1-9H2.
What are the key properties of 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2,2-difluoropropan-1-ol?
3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2,2-difluoropropan-1-ol has a molecular weight of 265.30 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106176815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).