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

C4H6F2N4O — CID 89310128

IUPAC1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
SMILESOC(Cn1cnnn1)C(F)F
InChIInChI=1S/C4H6F2N4O/c5-4(6)3(11)1-10-2-7-8-9-10/h2-4,11H,1H2
InChIKeyKQPQJSRODJQOEO-UHFFFAOYSA-N
MW164.12 g/mol
LogP-0.70
Rot. Bonds3

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

1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol (PubChem CID 89310128) has the molecular formula C4H6F2N4O and a molecular weight of 164.12 g/mol. Its IUPAC name is 1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
PubChem CID89310128
Molecular FormulaC4H6F2N4O
Molecular Weight164.12 g/mol
Exact Mass164.05
IUPAC Name1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
SMILESOC(Cn1cnnn1)C(F)F
InChIInChI=1S/C4H6F2N4O/c5-4(6)3(11)1-10-2-7-8-9-10/h2-4,11H,1H2
InChIKeyKQPQJSRODJQOEO-UHFFFAOYSA-N
XLogP-0.70
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol?
The IUPAC name of 1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol (CID 89310128) is 1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol is OC(Cn1cnnn1)C(F)F.
What is the InChIKey of 1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol?
The InChIKey is KQPQJSRODJQOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2N4O/c5-4(6)3(11)1-10-2-7-8-9-10/h2-4,11H,1H2.
What are the key properties of 1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol?
1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol has a molecular weight of 164.12 g/mol, XLogP of -0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 89310128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).