6-(trifluoromethyl)-2H-chromene-2-carboxylic acid

C11H7F3O3 — CID 174270923

IUPAC6-(trifluoromethyl)-2H-chromene-2-carboxylic acid
SMILESO=C(O)C1C=Cc2cc(C(F)(F)F)ccc2O1
InChIInChI=1S/C11H7F3O3/c12-11(13,14)7-2-4-8-6(5-7)1-3-9(17-8)10(15)16/h1-5,9H,(H,15,16)
InChIKeyHDLGPXUZLUDLGO-UHFFFAOYSA-N
MW244.17 g/mol
LogP2.56
Rot. Bonds1

About 6-(trifluoromethyl)-2H-chromene-2-carboxylic acid

6-(trifluoromethyl)-2H-chromene-2-carboxylic acid (PubChem CID 174270923) has the molecular formula C11H7F3O3 and a molecular weight of 244.17 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2H-chromene-2-carboxylic acid.

Molecular Properties

Compound Name6-(trifluoromethyl)-2H-chromene-2-carboxylic acid
PubChem CID174270923
Molecular FormulaC11H7F3O3
Molecular Weight244.17 g/mol
Exact Mass244.03
IUPAC Name6-(trifluoromethyl)-2H-chromene-2-carboxylic acid
SMILESO=C(O)C1C=Cc2cc(C(F)(F)F)ccc2O1
InChIInChI=1S/C11H7F3O3/c12-11(13,14)7-2-4-8-6(5-7)1-3-9(17-8)10(15)16/h1-5,9H,(H,15,16)
InChIKeyHDLGPXUZLUDLGO-UHFFFAOYSA-N
XLogP2.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-oxo-6-(trifluoromethyl)-2,3-dihydrochromene-2-carboxylic acid
CID 163279477
6-tert-butyl-2-phenyl-2H-chromene
CID 12601693
(2S)-2-[4-(trifluoromethyl)phenyl]-2H-chromene
CID 118487630
7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
CID 51063816
6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid;1-[6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]ethanone
CID 159695414
(2R,3S)-3-[4-(trifluoromethyl)phenyl]oxirane-2-carboxylic acid
CID 15205306
2-[2-hydroxy-4-(trifluoromethyl)benzoyl]benzoic acid
CID 171830769
4-[3-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]benzoic acid
CID 67007559
2-[2-[4-(trifluoromethyl)phenyl]ethynyl]-2H-chromene
CID 154717761
2-(fluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-2H-chromene-3-carboxylic acid
CID 151740428
CID 161391832
CID 161391832
benzoic acid;ethane;5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
CID 172603158

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-2H-chromene-2-carboxylic acid?
The IUPAC name of 6-(trifluoromethyl)-2H-chromene-2-carboxylic acid (CID 174270923) is 6-(trifluoromethyl)-2H-chromene-2-carboxylic acid.
What is the SMILES notation for 6-(trifluoromethyl)-2H-chromene-2-carboxylic acid?
The canonical SMILES for 6-(trifluoromethyl)-2H-chromene-2-carboxylic acid is O=C(O)C1C=Cc2cc(C(F)(F)F)ccc2O1.
What is the InChIKey of 6-(trifluoromethyl)-2H-chromene-2-carboxylic acid?
The InChIKey is HDLGPXUZLUDLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3O3/c12-11(13,14)7-2-4-8-6(5-7)1-3-9(17-8)10(15)16/h1-5,9H,(H,15,16).
What are the key properties of 6-(trifluoromethyl)-2H-chromene-2-carboxylic acid?
6-(trifluoromethyl)-2H-chromene-2-carboxylic acid has a molecular weight of 244.17 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-2H-chromene-2-carboxylic acid is sourced from PubChem (CID 174270923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).