CID 21154987

C17H13Ca2F2O3- — CID 21154987

IUPAC—
SMILESCC(CC(=O)c1ccc(-c2ccc(F)cc2F)cc1)C(=O)[O-].[Ca].[Ca]
InChIInChI=1S/C17H14F2O3.2Ca/c1-10(17(21)22)8-16(20)12-4-2-11(3-5-12)14-7-6-13(18)9-15(14)19;;/h2-7,9-10H,8H2,1H3,(H,21,22);;/p-1
InChIKeyKQNJGBHCGAMODF-UHFFFAOYSA-M
MW383.44 g/mol
LogP1.83
Rot. Bonds5

About CID 21154987

CID 21154987 (PubChem CID 21154987) has the molecular formula C17H13Ca2F2O3- and a molecular weight of 383.44 g/mol.

Molecular Properties

Compound NameCID 21154987
PubChem CID21154987
Molecular FormulaC17H13Ca2F2O3-
Molecular Weight383.44 g/mol
Exact Mass383.01
IUPAC Name—
SMILESCC(CC(=O)c1ccc(-c2ccc(F)cc2F)cc1)C(=O)[O-].[Ca].[Ca]
InChIInChI=1S/C17H14F2O3.2Ca/c1-10(17(21)22)8-16(20)12-4-2-11(3-5-12)14-7-6-13(18)9-15(14)19;;/h2-7,9-10H,8H2,1H3,(H,21,22);;/p-1
InChIKeyKQNJGBHCGAMODF-UHFFFAOYSA-M
XLogP1.83
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze CID 21154987 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

potassium 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate
CID 23699503
4-[4-(4-fluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid
CID 24835772
4-(2,4-difluorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 119060880
1-(3-fluoro-4-phenylphenyl)-2-methylbutan-1-one
CID 146006704
3-[4-(2,4-difluorophenyl)phenyl]but-2-en-1-ol
CID 54113945
1-[4-(1-bromoethyl)phenyl]-2,4-difluorobenzene
CID 21322621
1-[4-(4-bromo-2-fluorophenyl)phenyl]propan-1-one
CID 822002
2-[2-[4-(4-fluorophenyl)phenyl]-2-oxoethyl]-4-methylpentanoic acid
CID 139887967
2-methylpropyl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate
CID 155887634
propan-2-yl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate
CID 24843423
2-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]acetic acid
CID 151855786
6-(2,4-difluorophenyl)naphthalene-2-carboxylic acid
CID 172868740

Frequently Asked Questions

What is the IUPAC name of CID 21154987?
The IUPAC name of CID 21154987 (CID 21154987) is not available.
What is the SMILES notation for CID 21154987?
The canonical SMILES for CID 21154987 is CC(CC(=O)c1ccc(-c2ccc(F)cc2F)cc1)C(=O)[O-].[Ca].[Ca].
What is the InChIKey of CID 21154987?
The InChIKey is KQNJGBHCGAMODF-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H14F2O3.2Ca/c1-10(17(21)22)8-16(20)12-4-2-11(3-5-12)14-7-6-13(18)9-15(14)19;;/h2-7,9-10H,8H2,1H3,(H,21,22);;/p-1.
What are the key properties of CID 21154987?
CID 21154987 has a molecular weight of 383.44 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21154987 is sourced from PubChem (CID 21154987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).