2,2-difluoro-3-[(3-methyloxetan-3-yl)methylamino]propan-1-ol

C8H15F2NO2 — CID 106172817

IUPAC2,2-difluoro-3-[(3-methyloxetan-3-yl)methylamino]propan-1-ol
SMILESCC1(CNCC(F)(F)CO)COC1
InChIInChI=1S/C8H15F2NO2/c1-7(5-13-6-7)2-11-3-8(9,10)4-12/h11-12H,2-6H2,1H3
InChIKeyIKVKZDQEXIAQEL-UHFFFAOYSA-N
MW195.21 g/mol
LogP0.24
Rot. Bonds5

About 2,2-difluoro-3-[(3-methyloxetan-3-yl)methylamino]propan-1-ol

2,2-difluoro-3-[(3-methyloxetan-3-yl)methylamino]propan-1-ol (PubChem CID 106172817) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is 2,2-difluoro-3-[(3-methyloxetan-3-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(3-methyloxetan-3-yl)methylamino]propan-1-ol
PubChem CID106172817
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name2,2-difluoro-3-[(3-methyloxetan-3-yl)methylamino]propan-1-ol
SMILESCC1(CNCC(F)(F)CO)COC1
InChIInChI=1S/C8H15F2NO2/c1-7(5-13-6-7)2-11-3-8(9,10)4-12/h11-12H,2-6H2,1H3
InChIKeyIKVKZDQEXIAQEL-UHFFFAOYSA-N
XLogP0.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(3-methyloxetan-3-yl)methylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(3-methyloxetan-3-yl)methylamino]propan-1-ol (CID 106172817) is 2,2-difluoro-3-[(3-methyloxetan-3-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(3-methyloxetan-3-yl)methylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(3-methyloxetan-3-yl)methylamino]propan-1-ol is CC1(CNCC(F)(F)CO)COC1.
What is the InChIKey of 2,2-difluoro-3-[(3-methyloxetan-3-yl)methylamino]propan-1-ol?
The InChIKey is IKVKZDQEXIAQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-7(5-13-6-7)2-11-3-8(9,10)4-12/h11-12H,2-6H2,1H3.
What are the key properties of 2,2-difluoro-3-[(3-methyloxetan-3-yl)methylamino]propan-1-ol?
2,2-difluoro-3-[(3-methyloxetan-3-yl)methylamino]propan-1-ol has a molecular weight of 195.21 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(3-methyloxetan-3-yl)methylamino]propan-1-ol is sourced from PubChem (CID 106172817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).