5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-one

C7H9F3N4O — CID 107047296

IUPAC5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-one
SMILESCn1nnc(CC(=O)CCC(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O/c1-14-12-6(11-13-14)4-5(15)2-3-7(8,9)10/h2-4H2,1H3
InChIKeyIOLVKTPGPAWZTI-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.66
Rot. Bonds4

About 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-one

5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-one (PubChem CID 107047296) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-one.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-one
PubChem CID107047296
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-one
SMILESCn1nnc(CC(=O)CCC(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O/c1-14-12-6(11-13-14)4-5(15)2-3-7(8,9)10/h2-4H2,1H3
InChIKeyIOLVKTPGPAWZTI-UHFFFAOYSA-N
XLogP0.66
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

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
4,4,4-Trifluoro-1-(2-methyltetrazol-5-yl)-3-(trifluoromethyl)butan-2-one
CID 113911972
4,4,4-trifluoro-1-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)butane-1,3-dione
CID 165483879
1-(2-Methyltetrazol-5-yl)propan-2-one
CID 45085583
1-(2-Methyltetrazol-5-yl)butan-2-one
CID 107046878
4-(2-Methyltetrazol-5-yl)butan-2-one
CID 107044500
1-(2-Methyltetrazol-5-yl)hexan-3-one
CID 107044501
1-(2-Methyltetrazol-5-yl)pentan-3-one
CID 107044505

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-one?
The IUPAC name of 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-one (CID 107047296) is 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-one.
What is the SMILES notation for 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-one?
The canonical SMILES for 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-one is Cn1nnc(CC(=O)CCC(F)(F)F)n1.
What is the InChIKey of 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-one?
The InChIKey is IOLVKTPGPAWZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c1-14-12-6(11-13-14)4-5(15)2-3-7(8,9)10/h2-4H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-one?
5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-one has a molecular weight of 222.17 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-one is sourced from PubChem (CID 107047296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).