formaldehyde;1-(trifluoromethyl)pyrazole

C5H5F3N2O — CID 159602830

IUPACformaldehyde;1-(trifluoromethyl)pyrazole
SMILESC=O.FC(F)(F)n1cccn1
InChIInChI=1S/C4H3F3N2.CH2O/c5-4(6,7)9-3-1-2-8-9;1-2/h1-3H;1H2
InChIKeyMLRWUNITDJPOPT-UHFFFAOYSA-N
MW166.10 g/mol
LogP1.17
Rot. Bonds

About formaldehyde;1-(trifluoromethyl)pyrazole

formaldehyde;1-(trifluoromethyl)pyrazole (PubChem CID 159602830) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is formaldehyde;1-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Nameformaldehyde;1-(trifluoromethyl)pyrazole
PubChem CID159602830
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC Nameformaldehyde;1-(trifluoromethyl)pyrazole
SMILESC=O.FC(F)(F)n1cccn1
InChIInChI=1S/C4H3F3N2.CH2O/c5-4(6,7)9-3-1-2-8-9;1-2/h1-3H;1H2
InChIKeyMLRWUNITDJPOPT-UHFFFAOYSA-N
XLogP1.17
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;1-(trifluoromethyl)pyrazole?
The IUPAC name of formaldehyde;1-(trifluoromethyl)pyrazole (CID 159602830) is formaldehyde;1-(trifluoromethyl)pyrazole.
What is the SMILES notation for formaldehyde;1-(trifluoromethyl)pyrazole?
The canonical SMILES for formaldehyde;1-(trifluoromethyl)pyrazole is C=O.FC(F)(F)n1cccn1.
What is the InChIKey of formaldehyde;1-(trifluoromethyl)pyrazole?
The InChIKey is MLRWUNITDJPOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2.CH2O/c5-4(6,7)9-3-1-2-8-9;1-2/h1-3H;1H2.
What are the key properties of formaldehyde;1-(trifluoromethyl)pyrazole?
formaldehyde;1-(trifluoromethyl)pyrazole has a molecular weight of 166.10 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;1-(trifluoromethyl)pyrazole is sourced from PubChem (CID 159602830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).