(2R)-2-methyl-4-(2,4,6-trifluorophenyl)-2H-chromene-6-carboxylic acid

C17H11F3O3 — CID 58407207

IUPAC(2R)-2-methyl-4-(2,4,6-trifluorophenyl)-2H-chromene-6-carboxylic acid
SMILESC[C@@H]1C=C(c2c(F)cc(F)cc2F)c2cc(C(=O)O)ccc2O1
InChIInChI=1S/C17H11F3O3/c1-8-4-12(16-13(19)6-10(18)7-14(16)20)11-5-9(17(21)22)2-3-15(11)23-8/h2-8H,1H3,(H,21,22)/t8-/m1/s1
InChIKeyYDVISQLFNTUYOH-MRVPVSSYSA-N
MW320.27 g/mol
LogP4.01
Rot. Bonds2

About (2R)-2-methyl-4-(2,4,6-trifluorophenyl)-2H-chromene-6-carboxylic acid

(2R)-2-methyl-4-(2,4,6-trifluorophenyl)-2H-chromene-6-carboxylic acid (PubChem CID 58407207) has the molecular formula C17H11F3O3 and a molecular weight of 320.27 g/mol. Its IUPAC name is (2R)-2-methyl-4-(2,4,6-trifluorophenyl)-2H-chromene-6-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-methyl-4-(2,4,6-trifluorophenyl)-2H-chromene-6-carboxylic acid
PubChem CID58407207
Molecular FormulaC17H11F3O3
Molecular Weight320.27 g/mol
Exact Mass320.07
IUPAC Name(2R)-2-methyl-4-(2,4,6-trifluorophenyl)-2H-chromene-6-carboxylic acid
SMILESC[C@@H]1C=C(c2c(F)cc(F)cc2F)c2cc(C(=O)O)ccc2O1
InChIInChI=1S/C17H11F3O3/c1-8-4-12(16-13(19)6-10(18)7-14(16)20)11-5-9(17(21)22)2-3-15(11)23-8/h2-8H,1H3,(H,21,22)/t8-/m1/s1
InChIKeyYDVISQLFNTUYOH-MRVPVSSYSA-N
XLogP4.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-difluorophenyl)-2-methyl-2H-chromene-6-carboxylic acid
CID 58406680
4-(2,6-dichlorophenyl)-2-methyl-2H-chromene-6-carboxylic acid
CID 58407461
4-(5-fluoro-2-isocyanophenyl)-2-methyl-2H-chromene-6-carboxylic acid
CID 58406592
4-(2,3-dichlorophenyl)-2-methyl-2H-chromene-6-carboxylic acid
CID 58407555
4-methoxy-3-(2,4,6-trifluorophenyl)benzoic acid
CID 61025742
2-methyl-1,3-benzodioxole-5-carboxylic acid
CID 15546141
(11E)-11-(1-cyanoethylidene)-1,3-difluoro-6H-benzo[c][1]benzoxepine-8-carboxylic acid
CID 90197131
methyl 4-(4,6-difluorocyclohexa-1,3-dien-1-yl)-2-methyl-2H-chromene-6-carboxylate
CID 163448560
3-fluoro-4-(4-fluoro-2,6-dimethylphenyl)benzoic acid
CID 106879243
3-(2,4-difluorophenyl)-4-fluorobenzoic acid
CID 52984009
N-(diaminomethylidene)-4-(2-fluoro-5-methoxyphenyl)-2-methyl-2H-chromene-6-carboxamide
CID 58407247
2,2-dimethyl-4-(2,3,4-trifluorophenyl)chromene-6-carboxylic acid
CID 58407323

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-(2,4,6-trifluorophenyl)-2H-chromene-6-carboxylic acid?
The IUPAC name of (2R)-2-methyl-4-(2,4,6-trifluorophenyl)-2H-chromene-6-carboxylic acid (CID 58407207) is (2R)-2-methyl-4-(2,4,6-trifluorophenyl)-2H-chromene-6-carboxylic acid.
What is the SMILES notation for (2R)-2-methyl-4-(2,4,6-trifluorophenyl)-2H-chromene-6-carboxylic acid?
The canonical SMILES for (2R)-2-methyl-4-(2,4,6-trifluorophenyl)-2H-chromene-6-carboxylic acid is C[C@@H]1C=C(c2c(F)cc(F)cc2F)c2cc(C(=O)O)ccc2O1.
What is the InChIKey of (2R)-2-methyl-4-(2,4,6-trifluorophenyl)-2H-chromene-6-carboxylic acid?
The InChIKey is YDVISQLFNTUYOH-MRVPVSSYSA-N. The full InChI is InChI=1S/C17H11F3O3/c1-8-4-12(16-13(19)6-10(18)7-14(16)20)11-5-9(17(21)22)2-3-15(11)23-8/h2-8H,1H3,(H,21,22)/t8-/m1/s1.
What are the key properties of (2R)-2-methyl-4-(2,4,6-trifluorophenyl)-2H-chromene-6-carboxylic acid?
(2R)-2-methyl-4-(2,4,6-trifluorophenyl)-2H-chromene-6-carboxylic acid has a molecular weight of 320.27 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-(2,4,6-trifluorophenyl)-2H-chromene-6-carboxylic acid is sourced from PubChem (CID 58407207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).