3-amino-2,2-difluoro-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol

C9H9F5N2O — CID 163265613

IUPAC3-amino-2,2-difluoro-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol
SMILESNCC(F)(F)C(O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C9H9F5N2O/c10-8(11,4-15)7(17)5-2-1-3-6(16-5)9(12,13)14/h1-3,7,17H,4,15H2
InChIKeyUXBNYQUVKCURQJ-UHFFFAOYSA-N
MW256.17 g/mol
LogP1.73
Rot. Bonds3

About 3-amino-2,2-difluoro-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol

3-amino-2,2-difluoro-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol (PubChem CID 163265613) has the molecular formula C9H9F5N2O and a molecular weight of 256.17 g/mol. Its IUPAC name is 3-amino-2,2-difluoro-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-2,2-difluoro-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol
PubChem CID163265613
Molecular FormulaC9H9F5N2O
Molecular Weight256.17 g/mol
Exact Mass256.06
IUPAC Name3-amino-2,2-difluoro-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol
SMILESNCC(F)(F)C(O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C9H9F5N2O/c10-8(11,4-15)7(17)5-2-1-3-6(16-5)9(12,13)14/h1-3,7,17H,4,15H2
InChIKeyUXBNYQUVKCURQJ-UHFFFAOYSA-N
XLogP1.73
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.17
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-difluoro-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol?
The IUPAC name of 3-amino-2,2-difluoro-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol (CID 163265613) is 3-amino-2,2-difluoro-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 3-amino-2,2-difluoro-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol?
The canonical SMILES for 3-amino-2,2-difluoro-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol is NCC(F)(F)C(O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 3-amino-2,2-difluoro-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol?
The InChIKey is UXBNYQUVKCURQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5N2O/c10-8(11,4-15)7(17)5-2-1-3-6(16-5)9(12,13)14/h1-3,7,17H,4,15H2.
What are the key properties of 3-amino-2,2-difluoro-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol?
3-amino-2,2-difluoro-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol has a molecular weight of 256.17 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-difluoro-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 163265613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).