2,2,3,3-tetrafluoro-1-(2-methyltetrazol-5-yl)propan-1-one

C5H4F4N4O — CID 130892337

IUPAC2,2,3,3-tetrafluoro-1-(2-methyltetrazol-5-yl)propan-1-one
SMILESCn1nnc(C(=O)C(F)(F)C(F)F)n1
InChIInChI=1S/C5H4F4N4O/c1-13-11-3(10-12-13)2(14)5(8,9)4(6)7/h4H,1H3
InChIKeyVLLIWKFQWCFBOU-UHFFFAOYSA-N
MW212.11 g/mol
LogP0.29
Rot. Bonds3

About 2,2,3,3-tetrafluoro-1-(2-methyltetrazol-5-yl)propan-1-one

2,2,3,3-tetrafluoro-1-(2-methyltetrazol-5-yl)propan-1-one (PubChem CID 130892337) has the molecular formula C5H4F4N4O and a molecular weight of 212.11 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-1-(2-methyltetrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-1-(2-methyltetrazol-5-yl)propan-1-one
PubChem CID130892337
Molecular FormulaC5H4F4N4O
Molecular Weight212.11 g/mol
Exact Mass212.03
IUPAC Name2,2,3,3-tetrafluoro-1-(2-methyltetrazol-5-yl)propan-1-one
SMILESCn1nnc(C(=O)C(F)(F)C(F)F)n1
InChIInChI=1S/C5H4F4N4O/c1-13-11-3(10-12-13)2(14)5(8,9)4(6)7/h4H,1H3
InChIKeyVLLIWKFQWCFBOU-UHFFFAOYSA-N
XLogP0.29
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.11
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-(Trifluoromethyl)tetrazol-2-yl]butan-2-one
CID 161323898
4,4,4-Trifluoro-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107046920
1,1,1-Trifluoro-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047003
1,1-Difluoro-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047434
3,3,4,4-Tetrafluoro-1-(2-methyltetrazol-5-yl)butan-2-one
CID 108053652
3,3,4,4,4-Pentafluoro-1-(2-methyltetrazol-5-yl)butan-2-one
CID 108096072
2,2-Difluoro-1-(2-methyltetrazol-5-yl)propan-1-one
CID 127004623
2,2,2-Trifluoro-1-(2-methyltetrazol-5-yl)ethanone
CID 130834257
2,2-Difluoro-1-(2-methyltetrazol-5-yl)ethanone
CID 131021105
2,2,3,3,3-Pentafluoro-1-(2-methyltetrazol-5-yl)propan-1-one
CID 131137580
3,3,3-Trifluoro-2,2-dimethyl-1-(2-methyl-2h-1,2,3,4-tetrazol-5-yl)propan-1-one
CID 164652778
4,4,4-trifluoro-1-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)butane-1,3-dione
CID 165483879

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-1-(2-methyltetrazol-5-yl)propan-1-one?
The IUPAC name of 2,2,3,3-tetrafluoro-1-(2-methyltetrazol-5-yl)propan-1-one (CID 130892337) is 2,2,3,3-tetrafluoro-1-(2-methyltetrazol-5-yl)propan-1-one.
What is the SMILES notation for 2,2,3,3-tetrafluoro-1-(2-methyltetrazol-5-yl)propan-1-one?
The canonical SMILES for 2,2,3,3-tetrafluoro-1-(2-methyltetrazol-5-yl)propan-1-one is Cn1nnc(C(=O)C(F)(F)C(F)F)n1.
What is the InChIKey of 2,2,3,3-tetrafluoro-1-(2-methyltetrazol-5-yl)propan-1-one?
The InChIKey is VLLIWKFQWCFBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4N4O/c1-13-11-3(10-12-13)2(14)5(8,9)4(6)7/h4H,1H3.
What are the key properties of 2,2,3,3-tetrafluoro-1-(2-methyltetrazol-5-yl)propan-1-one?
2,2,3,3-tetrafluoro-1-(2-methyltetrazol-5-yl)propan-1-one has a molecular weight of 212.11 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-1-(2-methyltetrazol-5-yl)propan-1-one is sourced from PubChem (CID 130892337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).