2-(methylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid

C12H10F3NO3 — CID 142774364

IUPAC2-(methylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid
SMILESCNC1(C(F)(F)F)Oc2ccccc2C=C1C(=O)O
InChIInChI=1S/C12H10F3NO3/c1-16-11(12(13,14)15)8(10(17)18)6-7-4-2-3-5-9(7)19-11/h2-6,16H,1H3,(H,17,18)
InChIKeyMHKZRQGTVCDBJO-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.03
Rot. Bonds2

About 2-(methylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid

2-(methylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid (PubChem CID 142774364) has the molecular formula C12H10F3NO3 and a molecular weight of 273.21 g/mol. Its IUPAC name is 2-(methylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid.

Molecular Properties

Compound Name2-(methylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid
PubChem CID142774364
Molecular FormulaC12H10F3NO3
Molecular Weight273.21 g/mol
Exact Mass273.06
IUPAC Name2-(methylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid
SMILESCNC1(C(F)(F)F)Oc2ccccc2C=C1C(=O)O
InChIInChI=1S/C12H10F3NO3/c1-16-11(12(13,14)15)8(10(17)18)6-7-4-2-3-5-9(7)19-11/h2-6,16H,1H3,(H,17,18)
InChIKeyMHKZRQGTVCDBJO-UHFFFAOYSA-N
XLogP2.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethylpropylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 141098044
2-(3-methylbutylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 141097825
2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 154448945
2-sulfanyloxy-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 141098191
2-(2-methoxyphenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 142774404
2-(1,2,2-trifluoroethyl)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 174486877
2-(4-hydroxyphenyl)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 142774321
(2S)-2-(2-methoxyethoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 99992703
2-(3-methylphenyl)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 142774329
2-(4-ethylsulfanylphenyl)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 142774341
2-(3-chlorophenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 142774384
2-[(2-oxo-1-pyridinyl)methyl]-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 151952299

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid?
The IUPAC name of 2-(methylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid (CID 142774364) is 2-(methylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid.
What is the SMILES notation for 2-(methylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid?
The canonical SMILES for 2-(methylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid is CNC1(C(F)(F)F)Oc2ccccc2C=C1C(=O)O.
What is the InChIKey of 2-(methylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid?
The InChIKey is MHKZRQGTVCDBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO3/c1-16-11(12(13,14)15)8(10(17)18)6-7-4-2-3-5-9(7)19-11/h2-6,16H,1H3,(H,17,18).
What are the key properties of 2-(methylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid?
2-(methylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid has a molecular weight of 273.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid is sourced from PubChem (CID 142774364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).