2,2-difluoro-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propan-1-ol

C10H20F2N2O2 — CID 106176180

IUPAC2,2-difluoro-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propan-1-ol
SMILESOCC(F)(F)CNCC(O)CN1CCCC1
InChIInChI=1S/C10H20F2N2O2/c11-10(12,8-15)7-13-5-9(16)6-14-3-1-2-4-14/h9,13,15-16H,1-8H2
InChIKeyWZONPJHVEVNMMA-UHFFFAOYSA-N
MW238.28 g/mol
LogP-0.34
Rot. Bonds7

About 2,2-difluoro-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propan-1-ol

2,2-difluoro-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propan-1-ol (PubChem CID 106176180) has the molecular formula C10H20F2N2O2 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2,2-difluoro-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propan-1-ol
PubChem CID106176180
Molecular FormulaC10H20F2N2O2
Molecular Weight238.28 g/mol
Exact Mass238.15
IUPAC Name2,2-difluoro-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propan-1-ol
SMILESOCC(F)(F)CNCC(O)CN1CCCC1
InChIInChI=1S/C10H20F2N2O2/c11-10(12,8-15)7-13-5-9(16)6-14-3-1-2-4-14/h9,13,15-16H,1-8H2
InChIKeyWZONPJHVEVNMMA-UHFFFAOYSA-N
XLogP-0.34
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propan-1-ol (CID 106176180) is 2,2-difluoro-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propan-1-ol is OCC(F)(F)CNCC(O)CN1CCCC1.
What is the InChIKey of 2,2-difluoro-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propan-1-ol?
The InChIKey is WZONPJHVEVNMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O2/c11-10(12,8-15)7-13-5-9(16)6-14-3-1-2-4-14/h9,13,15-16H,1-8H2.
What are the key properties of 2,2-difluoro-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propan-1-ol?
2,2-difluoro-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propan-1-ol has a molecular weight of 238.28 g/mol, XLogP of -0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propan-1-ol is sourced from PubChem (CID 106176180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).