sodium;6-chloro-5-(3-chlorophenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride

C17H10Cl2F3NaO4 — CID 174500720

IUPACsodium;6-chloro-5-(3-chlorophenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride
SMILESO=C(O)C1=Cc2c(ccc(Cl)c2Oc2cccc(Cl)c2)OC1C(F)(F)F.[H-].[Na+]
InChIInChI=1S/C17H9Cl2F3O4.Na.H/c18-8-2-1-3-9(6-8)25-14-10-7-11(16(23)24)15(17(20,21)22)26-13(10)5-4-12(14)19;;/h1-7,15H,(H,23,24);;/q;+1;-1
InChIKeyUKDCMYBZJQWEFY-UHFFFAOYSA-N
MW429.15 g/mol
LogP2.69
Rot. Bonds3

About sodium;6-chloro-5-(3-chlorophenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride

sodium;6-chloro-5-(3-chlorophenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride (PubChem CID 174500720) has the molecular formula C17H10Cl2F3NaO4 and a molecular weight of 429.15 g/mol. Its IUPAC name is sodium;6-chloro-5-(3-chlorophenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride.

Molecular Properties

Compound Namesodium;6-chloro-5-(3-chlorophenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride
PubChem CID174500720
Molecular FormulaC17H10Cl2F3NaO4
Molecular Weight429.15 g/mol
Exact Mass427.98
IUPAC Namesodium;6-chloro-5-(3-chlorophenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride
SMILESO=C(O)C1=Cc2c(ccc(Cl)c2Oc2cccc(Cl)c2)OC1C(F)(F)F.[H-].[Na+]
InChIInChI=1S/C17H9Cl2F3O4.Na.H/c18-8-2-1-3-9(6-8)25-14-10-7-11(16(23)24)15(17(20,21)22)26-13(10)5-4-12(14)19;;/h1-7,15H,(H,23,24);;/q;+1;-1
InChIKeyUKDCMYBZJQWEFY-UHFFFAOYSA-N
XLogP2.69
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.15
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-6-chloro-5-(3-chlorophenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934514
ethyl 6-chloro-5-phenoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 58934759
5-chloro-7-(2,3-dibromophenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 154260508
5,7-dichloro-6-ethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11245248
(2S)-5,7-dichloro-6-propan-2-yloxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;5,7-dichloro-6-propan-2-yloxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 159483702
(2S)-6-(4-methoxyphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 54486081
6-chloro-7-(2,4-dichloro-6-methylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11430936
ethyl 6-chloro-5-fluoro-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 58934464
6-chloro-5,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11609224
(2R)-7-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 124673363
(2R)-6-chloro-7-(4-ethylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934594
5-chloro-8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 154393503

Frequently Asked Questions

What is the IUPAC name of sodium;6-chloro-5-(3-chlorophenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride?
The IUPAC name of sodium;6-chloro-5-(3-chlorophenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride (CID 174500720) is sodium;6-chloro-5-(3-chlorophenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride.
What is the SMILES notation for sodium;6-chloro-5-(3-chlorophenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride?
The canonical SMILES for sodium;6-chloro-5-(3-chlorophenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride is O=C(O)C1=Cc2c(ccc(Cl)c2Oc2cccc(Cl)c2)OC1C(F)(F)F.[H-].[Na+].
What is the InChIKey of sodium;6-chloro-5-(3-chlorophenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride?
The InChIKey is UKDCMYBZJQWEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2F3O4.Na.H/c18-8-2-1-3-9(6-8)25-14-10-7-11(16(23)24)15(17(20,21)22)26-13(10)5-4-12(14)19;;/h1-7,15H,(H,23,24);;/q;+1;-1.
What are the key properties of sodium;6-chloro-5-(3-chlorophenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride?
sodium;6-chloro-5-(3-chlorophenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride has a molecular weight of 429.15 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;6-chloro-5-(3-chlorophenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride is sourced from PubChem (CID 174500720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).