4-amino-2,5-difluoro-2,5-di(propan-2-yl)oxolan-3-ol

C10H19F2NO2 — CID 123670642

IUPAC4-amino-2,5-difluoro-2,5-di(propan-2-yl)oxolan-3-ol
SMILESCC(C)C1(F)OC(F)(C(C)C)C(O)C1N
InChIInChI=1S/C10H19F2NO2/c1-5(2)9(11)7(13)8(14)10(12,15-9)6(3)4/h5-8,14H,13H2,1-4H3
InChIKeyZSDLEBJYPPYHTR-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.35
Rot. Bonds2

About 4-amino-2,5-difluoro-2,5-di(propan-2-yl)oxolan-3-ol

4-amino-2,5-difluoro-2,5-di(propan-2-yl)oxolan-3-ol (PubChem CID 123670642) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is 4-amino-2,5-difluoro-2,5-di(propan-2-yl)oxolan-3-ol.

Molecular Properties

Compound Name4-amino-2,5-difluoro-2,5-di(propan-2-yl)oxolan-3-ol
PubChem CID123670642
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC Name4-amino-2,5-difluoro-2,5-di(propan-2-yl)oxolan-3-ol
SMILESCC(C)C1(F)OC(F)(C(C)C)C(O)C1N
InChIInChI=1S/C10H19F2NO2/c1-5(2)9(11)7(13)8(14)10(12,15-9)6(3)4/h5-8,14H,13H2,1-4H3
InChIKeyZSDLEBJYPPYHTR-UHFFFAOYSA-N
XLogP1.35
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,5-difluoro-2,5-di(propan-2-yl)oxolan-3-ol?
The IUPAC name of 4-amino-2,5-difluoro-2,5-di(propan-2-yl)oxolan-3-ol (CID 123670642) is 4-amino-2,5-difluoro-2,5-di(propan-2-yl)oxolan-3-ol.
What is the SMILES notation for 4-amino-2,5-difluoro-2,5-di(propan-2-yl)oxolan-3-ol?
The canonical SMILES for 4-amino-2,5-difluoro-2,5-di(propan-2-yl)oxolan-3-ol is CC(C)C1(F)OC(F)(C(C)C)C(O)C1N.
What is the InChIKey of 4-amino-2,5-difluoro-2,5-di(propan-2-yl)oxolan-3-ol?
The InChIKey is ZSDLEBJYPPYHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2/c1-5(2)9(11)7(13)8(14)10(12,15-9)6(3)4/h5-8,14H,13H2,1-4H3.
What are the key properties of 4-amino-2,5-difluoro-2,5-di(propan-2-yl)oxolan-3-ol?
4-amino-2,5-difluoro-2,5-di(propan-2-yl)oxolan-3-ol has a molecular weight of 223.26 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,5-difluoro-2,5-di(propan-2-yl)oxolan-3-ol is sourced from PubChem (CID 123670642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).