6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

C15H14ClF3O3 — CID 11163455

IUPAC6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESCC(C)Cc1cc2c(cc1Cl)C=C(C(=O)O)C(C(F)(F)F)O2
InChIInChI=1S/C15H14ClF3O3/c1-7(2)3-8-6-12-9(5-11(8)16)4-10(14(20)21)13(22-12)15(17,18)19/h4-7,13H,3H2,1-2H3,(H,20,21)
InChIKeyVFGSNLRSCYUGNT-UHFFFAOYSA-N
MW334.72 g/mol
LogP4.33
Rot. Bonds3

About 6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (PubChem CID 11163455) has the molecular formula C15H14ClF3O3 and a molecular weight of 334.72 g/mol. Its IUPAC name is 6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
PubChem CID11163455
Molecular FormulaC15H14ClF3O3
Molecular Weight334.72 g/mol
Exact Mass334.06
IUPAC Name6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESCC(C)Cc1cc2c(cc1Cl)C=C(C(=O)O)C(C(F)(F)F)O2
InChIInChI=1S/C15H14ClF3O3/c1-7(2)3-8-6-12-9(5-11(8)16)4-10(14(20)21)13(22-12)15(17,18)19/h4-7,13H,3H2,1-2H3,(H,20,21)
InChIKeyVFGSNLRSCYUGNT-UHFFFAOYSA-N
XLogP4.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.72
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

SC-75416
CID 9858913
(2s)-6,8-Dichloro-2-(Trifluoromethyl)-2h-Chromene-3-Carboxylic Acid
CID 9831791
6-chloro-2H-chromene-3-carboxylic acid
CID 596929
6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic Acid
CID 9795652
6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic Acid
CID 9835721
6-chloro-7,8-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic Acid
CID 9901158
7-tert-butyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 9905741
8-chloro-6-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic Acid
CID 9922118
8-chloro-6-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic Acid
CID 9922659
6,7-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic Acid
CID 9966560
5,6-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic Acid
CID 10064144
6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic Acid
CID 10267703

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The IUPAC name of 6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (CID 11163455) is 6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The canonical SMILES for 6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is CC(C)Cc1cc2c(cc1Cl)C=C(C(=O)O)C(C(F)(F)F)O2.
What is the InChIKey of 6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The InChIKey is VFGSNLRSCYUGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3O3/c1-7(2)3-8-6-12-9(5-11(8)16)4-10(14(20)21)13(22-12)15(17,18)19/h4-7,13H,3H2,1-2H3,(H,20,21).
What are the key properties of 6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid has a molecular weight of 334.72 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 11163455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).