1,1-difluoro-1-pyrimidin-2-yl-3-(tetrazol-1-yl)propan-2-ol

C8H8F2N6O — CID 71143812

IUPAC1,1-difluoro-1-pyrimidin-2-yl-3-(tetrazol-1-yl)propan-2-ol
SMILESOC(Cn1cnnn1)C(F)(F)c1ncccn1
InChIInChI=1S/C8H8F2N6O/c9-8(10,7-11-2-1-3-12-7)6(17)4-16-5-13-14-15-16/h1-3,5-6,17H,4H2
InChIKeyVPJLTMIMZBUVNF-UHFFFAOYSA-N
MW242.19 g/mol
LogP-0.38
Rot. Bonds4

About 1,1-difluoro-1-pyrimidin-2-yl-3-(tetrazol-1-yl)propan-2-ol

1,1-difluoro-1-pyrimidin-2-yl-3-(tetrazol-1-yl)propan-2-ol (PubChem CID 71143812) has the molecular formula C8H8F2N6O and a molecular weight of 242.19 g/mol. Its IUPAC name is 1,1-difluoro-1-pyrimidin-2-yl-3-(tetrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-1-pyrimidin-2-yl-3-(tetrazol-1-yl)propan-2-ol
PubChem CID71143812
Molecular FormulaC8H8F2N6O
Molecular Weight242.19 g/mol
Exact Mass242.07
IUPAC Name1,1-difluoro-1-pyrimidin-2-yl-3-(tetrazol-1-yl)propan-2-ol
SMILESOC(Cn1cnnn1)C(F)(F)c1ncccn1
InChIInChI=1S/C8H8F2N6O/c9-8(10,7-11-2-1-3-12-7)6(17)4-16-5-13-14-15-16/h1-3,5-6,17H,4H2
InChIKeyVPJLTMIMZBUVNF-UHFFFAOYSA-N
XLogP-0.38
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,1-difluoro-1-pyrimidin-2-yl-3-(tetrazol-1-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-pyrimidin-2-yl-3-(tetrazol-1-yl)propan-2-ol?
The IUPAC name of 1,1-difluoro-1-pyrimidin-2-yl-3-(tetrazol-1-yl)propan-2-ol (CID 71143812) is 1,1-difluoro-1-pyrimidin-2-yl-3-(tetrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-1-pyrimidin-2-yl-3-(tetrazol-1-yl)propan-2-ol?
The canonical SMILES for 1,1-difluoro-1-pyrimidin-2-yl-3-(tetrazol-1-yl)propan-2-ol is OC(Cn1cnnn1)C(F)(F)c1ncccn1.
What is the InChIKey of 1,1-difluoro-1-pyrimidin-2-yl-3-(tetrazol-1-yl)propan-2-ol?
The InChIKey is VPJLTMIMZBUVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N6O/c9-8(10,7-11-2-1-3-12-7)6(17)4-16-5-13-14-15-16/h1-3,5-6,17H,4H2.
What are the key properties of 1,1-difluoro-1-pyrimidin-2-yl-3-(tetrazol-1-yl)propan-2-ol?
1,1-difluoro-1-pyrimidin-2-yl-3-(tetrazol-1-yl)propan-2-ol has a molecular weight of 242.19 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-pyrimidin-2-yl-3-(tetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 71143812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).