[(2,2-difluorooxan-3-yl)amino]-[(2-methylpropan-2-yl)oxy]methanol

C10H19F2NO3 — CID 146339303

IUPAC[(2,2-difluorooxan-3-yl)amino]-[(2-methylpropan-2-yl)oxy]methanol
SMILESCC(C)(C)OC(O)NC1CCCOC1(F)F
InChIInChI=1S/C10H19F2NO3/c1-9(2,3)16-8(14)13-7-5-4-6-15-10(7,11)12/h7-8,13-14H,4-6H2,1-3H3
InChIKeyIVQWAZSXUKFQOJ-UHFFFAOYSA-N
MW239.26 g/mol
LogP1.44
Rot. Bonds3

About [(2,2-difluorooxan-3-yl)amino]-[(2-methylpropan-2-yl)oxy]methanol

[(2,2-difluorooxan-3-yl)amino]-[(2-methylpropan-2-yl)oxy]methanol (PubChem CID 146339303) has the molecular formula C10H19F2NO3 and a molecular weight of 239.26 g/mol. Its IUPAC name is [(2,2-difluorooxan-3-yl)amino]-[(2-methylpropan-2-yl)oxy]methanol.

Molecular Properties

Compound Name[(2,2-difluorooxan-3-yl)amino]-[(2-methylpropan-2-yl)oxy]methanol
PubChem CID146339303
Molecular FormulaC10H19F2NO3
Molecular Weight239.26 g/mol
Exact Mass239.13
IUPAC Name[(2,2-difluorooxan-3-yl)amino]-[(2-methylpropan-2-yl)oxy]methanol
SMILESCC(C)(C)OC(O)NC1CCCOC1(F)F
InChIInChI=1S/C10H19F2NO3/c1-9(2,3)16-8(14)13-7-5-4-6-15-10(7,11)12/h7-8,13-14H,4-6H2,1-3H3
InChIKeyIVQWAZSXUKFQOJ-UHFFFAOYSA-N
XLogP1.44
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2,2-difluorooxan-3-yl)amino]-[(2-methylpropan-2-yl)oxy]methanol?
The IUPAC name of [(2,2-difluorooxan-3-yl)amino]-[(2-methylpropan-2-yl)oxy]methanol (CID 146339303) is [(2,2-difluorooxan-3-yl)amino]-[(2-methylpropan-2-yl)oxy]methanol.
What is the SMILES notation for [(2,2-difluorooxan-3-yl)amino]-[(2-methylpropan-2-yl)oxy]methanol?
The canonical SMILES for [(2,2-difluorooxan-3-yl)amino]-[(2-methylpropan-2-yl)oxy]methanol is CC(C)(C)OC(O)NC1CCCOC1(F)F.
What is the InChIKey of [(2,2-difluorooxan-3-yl)amino]-[(2-methylpropan-2-yl)oxy]methanol?
The InChIKey is IVQWAZSXUKFQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO3/c1-9(2,3)16-8(14)13-7-5-4-6-15-10(7,11)12/h7-8,13-14H,4-6H2,1-3H3.
What are the key properties of [(2,2-difluorooxan-3-yl)amino]-[(2-methylpropan-2-yl)oxy]methanol?
[(2,2-difluorooxan-3-yl)amino]-[(2-methylpropan-2-yl)oxy]methanol has a molecular weight of 239.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,2-difluorooxan-3-yl)amino]-[(2-methylpropan-2-yl)oxy]methanol is sourced from PubChem (CID 146339303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).