1,3-difluoro-1-(tetrazol-1-yl)-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]propan-2-ol

C11H10F5N5O2 — CID 71145336

IUPAC1,3-difluoro-1-(tetrazol-1-yl)-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]propan-2-ol
SMILESOC(C(F)c1ccc(C(O)C(F)(F)F)cn1)C(F)n1cnnn1
InChIInChI=1S/C11H10F5N5O2/c12-7(8(22)10(13)21-4-18-19-20-21)6-2-1-5(3-17-6)9(23)11(14,15)16/h1-4,7-10,22-23H
InChIKeyPPCLIFIEZIPWNT-UHFFFAOYSA-N
MW339.22 g/mol
LogP1.20
Rot. Bonds5

About 1,3-difluoro-1-(tetrazol-1-yl)-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]propan-2-ol

1,3-difluoro-1-(tetrazol-1-yl)-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]propan-2-ol (PubChem CID 71145336) has the molecular formula C11H10F5N5O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 1,3-difluoro-1-(tetrazol-1-yl)-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name1,3-difluoro-1-(tetrazol-1-yl)-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]propan-2-ol
PubChem CID71145336
Molecular FormulaC11H10F5N5O2
Molecular Weight339.22 g/mol
Exact Mass339.08
IUPAC Name1,3-difluoro-1-(tetrazol-1-yl)-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]propan-2-ol
SMILESOC(C(F)c1ccc(C(O)C(F)(F)F)cn1)C(F)n1cnnn1
InChIInChI=1S/C11H10F5N5O2/c12-7(8(22)10(13)21-4-18-19-20-21)6-2-1-5(3-17-6)9(23)11(14,15)16/h1-4,7-10,22-23H
InChIKeyPPCLIFIEZIPWNT-UHFFFAOYSA-N
XLogP1.20
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-1-(tetrazol-1-yl)-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]propan-2-ol?
The IUPAC name of 1,3-difluoro-1-(tetrazol-1-yl)-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]propan-2-ol (CID 71145336) is 1,3-difluoro-1-(tetrazol-1-yl)-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 1,3-difluoro-1-(tetrazol-1-yl)-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]propan-2-ol?
The canonical SMILES for 1,3-difluoro-1-(tetrazol-1-yl)-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]propan-2-ol is OC(C(F)c1ccc(C(O)C(F)(F)F)cn1)C(F)n1cnnn1.
What is the InChIKey of 1,3-difluoro-1-(tetrazol-1-yl)-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]propan-2-ol?
The InChIKey is PPCLIFIEZIPWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5N5O2/c12-7(8(22)10(13)21-4-18-19-20-21)6-2-1-5(3-17-6)9(23)11(14,15)16/h1-4,7-10,22-23H.
What are the key properties of 1,3-difluoro-1-(tetrazol-1-yl)-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]propan-2-ol?
1,3-difluoro-1-(tetrazol-1-yl)-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]propan-2-ol has a molecular weight of 339.22 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-1-(tetrazol-1-yl)-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 71145336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).