carbonic acid;1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole

C7H7F5N2O3 — CID 87377954

IUPACcarbonic acid;1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole
SMILESCn1ccc(C(F)(F)C(F)(F)F)n1.O=C(O)O
InChIInChI=1S/C6H5F5N2.CH2O3/c1-13-3-2-4(12-13)5(7,8)6(9,10)11;2-1(3)4/h2-3H,1H3;(H2,2,3,4)
InChIKeyIHOWMGIEAJMDMW-UHFFFAOYSA-N
MW262.13 g/mol
LogP2.30
Rot. Bonds1

About carbonic acid;1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole

carbonic acid;1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole (PubChem CID 87377954) has the molecular formula C7H7F5N2O3 and a molecular weight of 262.13 g/mol. Its IUPAC name is carbonic acid;1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole.

Molecular Properties

Compound Namecarbonic acid;1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole
PubChem CID87377954
Molecular FormulaC7H7F5N2O3
Molecular Weight262.13 g/mol
Exact Mass262.04
IUPAC Namecarbonic acid;1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole
SMILESCn1ccc(C(F)(F)C(F)(F)F)n1.O=C(O)O
InChIInChI=1S/C6H5F5N2.CH2O3/c1-13-3-2-4(12-13)5(7,8)6(9,10)11;2-1(3)4/h2-3H,1H3;(H2,2,3,4)
InChIKeyIHOWMGIEAJMDMW-UHFFFAOYSA-N
XLogP2.30
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.13
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole?
The IUPAC name of carbonic acid;1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole (CID 87377954) is carbonic acid;1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole.
What is the SMILES notation for carbonic acid;1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole?
The canonical SMILES for carbonic acid;1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole is Cn1ccc(C(F)(F)C(F)(F)F)n1.O=C(O)O.
What is the InChIKey of carbonic acid;1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole?
The InChIKey is IHOWMGIEAJMDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5N2.CH2O3/c1-13-3-2-4(12-13)5(7,8)6(9,10)11;2-1(3)4/h2-3H,1H3;(H2,2,3,4).
What are the key properties of carbonic acid;1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole?
carbonic acid;1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole has a molecular weight of 262.13 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole is sourced from PubChem (CID 87377954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).