CID 54725649

C11H6F3KN2O3- — CID 54725649

IUPAC—
SMILESO=C(O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-].[K]
InChIInChI=1S/C11H7F3N2O3.K/c12-11(13,14)6-3-1-2-4-7(6)16-5-8(17)9(15-16)10(18)19;/h1-5,17H,(H,18,19);/p-1
InChIKeyQPLMXOAXAYTIAS-UHFFFAOYSA-M
MW310.27 g/mol
LogP1.28
Rot. Bonds2

About CID 54725649

CID 54725649 (PubChem CID 54725649) has the molecular formula C11H6F3KN2O3- and a molecular weight of 310.27 g/mol.

Molecular Properties

Compound NameCID 54725649
PubChem CID54725649
Molecular FormulaC11H6F3KN2O3-
Molecular Weight310.27 g/mol
Exact Mass310.00
IUPAC Name—
SMILESO=C(O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-].[K]
InChIInChI=1S/C11H7F3N2O3.K/c12-11(13,14)6-3-1-2-4-7(6)16-5-8(17)9(15-16)10(18)19;/h1-5,17H,(H,18,19);/p-1
InChIKeyQPLMXOAXAYTIAS-UHFFFAOYSA-M
XLogP1.28
TPSA78.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole
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4-bromo-1-[2-(trifluoromethyl)phenyl]pyrazol-3-amine
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1-(2-bromophenyl)-4-hydroxypyrazole-3-carboxylic acid
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N'-(2,3-dihydro-1,4-dioxine-5-carbonyl)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide
CID 17476187
5-amino-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 82365365
1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 62314005
1-[2-(trifluoromethyl)phenyl]imidazole-4-carbonyl chloride
CID 150831398
3-[(E)-3-(dimethylamino)prop-2-enoyl]-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one
CID 59436161
1-(3-bromophenyl)-4-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 174881028
1-(2-ethylphenyl)-4-formylpyrazole-3-carboxylic acid
CID 82130337

Frequently Asked Questions

What is the IUPAC name of CID 54725649?
The IUPAC name of CID 54725649 (CID 54725649) is not available.
What is the SMILES notation for CID 54725649?
The canonical SMILES for CID 54725649 is O=C(O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-].[K].
What is the InChIKey of CID 54725649?
The InChIKey is QPLMXOAXAYTIAS-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H7F3N2O3.K/c12-11(13,14)6-3-1-2-4-7(6)16-5-8(17)9(15-16)10(18)19;/h1-5,17H,(H,18,19);/p-1.
What are the key properties of CID 54725649?
CID 54725649 has a molecular weight of 310.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54725649 is sourced from PubChem (CID 54725649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).