2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-yl-3-(tetrazol-1-yl)propan-2-ol

C15H11F4N5O — CID 71143790

IUPAC2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-yl-3-(tetrazol-1-yl)propan-2-ol
SMILESOC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccccn1
InChIInChI=1S/C15H11F4N5O/c16-10-4-5-11(12(17)7-10)14(25,8-24-9-21-22-23-24)15(18,19)13-3-1-2-6-20-13/h1-7,9,25H,8H2
InChIKeyQJSIDAFXZGMWSO-UHFFFAOYSA-N
MW353.28 g/mol
LogP2.03
Rot. Bonds5

About 2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-yl-3-(tetrazol-1-yl)propan-2-ol

2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-yl-3-(tetrazol-1-yl)propan-2-ol (PubChem CID 71143790) has the molecular formula C15H11F4N5O and a molecular weight of 353.28 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-yl-3-(tetrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-yl-3-(tetrazol-1-yl)propan-2-ol
PubChem CID71143790
Molecular FormulaC15H11F4N5O
Molecular Weight353.28 g/mol
Exact Mass353.09
IUPAC Name2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-yl-3-(tetrazol-1-yl)propan-2-ol
SMILESOC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccccn1
InChIInChI=1S/C15H11F4N5O/c16-10-4-5-11(12(17)7-10)14(25,8-24-9-21-22-23-24)15(18,19)13-3-1-2-6-20-13/h1-7,9,25H,8H2
InChIKeyQJSIDAFXZGMWSO-UHFFFAOYSA-N
XLogP2.03
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-yl-3-(tetrazol-1-yl)propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-yl-3-(tetrazol-1-yl)propan-2-ol (CID 71143790) is 2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-yl-3-(tetrazol-1-yl)propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-yl-3-(tetrazol-1-yl)propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-yl-3-(tetrazol-1-yl)propan-2-ol is OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccccn1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-yl-3-(tetrazol-1-yl)propan-2-ol?
The InChIKey is QJSIDAFXZGMWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4N5O/c16-10-4-5-11(12(17)7-10)14(25,8-24-9-21-22-23-24)15(18,19)13-3-1-2-6-20-13/h1-7,9,25H,8H2.
What are the key properties of 2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-yl-3-(tetrazol-1-yl)propan-2-ol?
2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-yl-3-(tetrazol-1-yl)propan-2-ol has a molecular weight of 353.28 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-yl-3-(tetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 71143790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).