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

C4H6F2N4O — CID 89310150

IUPAC1,1-difluoro-1-(tetrazol-1-yl)propan-2-ol
SMILESCC(O)C(F)(F)n1cnnn1
InChIInChI=1S/C4H6F2N4O/c1-3(11)4(5,6)10-2-7-8-9-10/h2-3,11H,1H3
InChIKeyKLKLCGIFOORCEM-UHFFFAOYSA-N
MW164.12 g/mol
LogP-0.40
Rot. Bonds2

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

1,1-difluoro-1-(tetrazol-1-yl)propan-2-ol (PubChem CID 89310150) has the molecular formula C4H6F2N4O and a molecular weight of 164.12 g/mol. Its IUPAC name is 1,1-difluoro-1-(tetrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-1-(tetrazol-1-yl)propan-2-ol
PubChem CID89310150
Molecular FormulaC4H6F2N4O
Molecular Weight164.12 g/mol
Exact Mass164.05
IUPAC Name1,1-difluoro-1-(tetrazol-1-yl)propan-2-ol
SMILESCC(O)C(F)(F)n1cnnn1
InChIInChI=1S/C4H6F2N4O/c1-3(11)4(5,6)10-2-7-8-9-10/h2-3,11H,1H3
InChIKeyKLKLCGIFOORCEM-UHFFFAOYSA-N
XLogP-0.40
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-(tetrazol-1-yl)propan-2-ol?
The IUPAC name of 1,1-difluoro-1-(tetrazol-1-yl)propan-2-ol (CID 89310150) is 1,1-difluoro-1-(tetrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-1-(tetrazol-1-yl)propan-2-ol?
The canonical SMILES for 1,1-difluoro-1-(tetrazol-1-yl)propan-2-ol is CC(O)C(F)(F)n1cnnn1.
What is the InChIKey of 1,1-difluoro-1-(tetrazol-1-yl)propan-2-ol?
The InChIKey is KLKLCGIFOORCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2N4O/c1-3(11)4(5,6)10-2-7-8-9-10/h2-3,11H,1H3.
What are the key properties of 1,1-difluoro-1-(tetrazol-1-yl)propan-2-ol?
1,1-difluoro-1-(tetrazol-1-yl)propan-2-ol has a molecular weight of 164.12 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(tetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 89310150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).