2-(fluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-2H-chromene-3-carboxylic acid

C18H12F4O4 — CID 151740428

IUPAC2-(fluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2cc(Oc3ccc(C(F)(F)F)cc3)ccc2OC1CF
InChIInChI=1S/C18H12F4O4/c19-9-16-14(17(23)24)8-10-7-13(5-6-15(10)26-16)25-12-3-1-11(2-4-12)18(20,21)22/h1-8,16H,9H2,(H,23,24)
InChIKeyRMKIJJVHUBYCTP-UHFFFAOYSA-N
MW368.28 g/mol
LogP4.70
Rot. Bonds4

About 2-(fluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-2H-chromene-3-carboxylic acid

2-(fluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-2H-chromene-3-carboxylic acid (PubChem CID 151740428) has the molecular formula C18H12F4O4 and a molecular weight of 368.28 g/mol. Its IUPAC name is 2-(fluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name2-(fluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-2H-chromene-3-carboxylic acid
PubChem CID151740428
Molecular FormulaC18H12F4O4
Molecular Weight368.28 g/mol
Exact Mass368.07
IUPAC Name2-(fluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2cc(Oc3ccc(C(F)(F)F)cc3)ccc2OC1CF
InChIInChI=1S/C18H12F4O4/c19-9-16-14(17(23)24)8-10-7-13(5-6-15(10)26-16)25-12-3-1-11(2-4-12)18(20,21)22/h1-8,16H,9H2,(H,23,24)
InChIKeyRMKIJJVHUBYCTP-UHFFFAOYSA-N
XLogP4.70
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-6-(4-methoxyphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 54486081
2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 154115475
8-chloro-2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-2H-chromene-3-carboxylic acid;2H-chromene-3-carboxylic acid
CID 162035157
2-benzamido-4-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 67342854
6-(hydroxymethyl)-2-(1,1,2-trifluoroethyl)-2H-chromene-3-carboxylic acid
CID 22649685
6-sulfanyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 138479110
(2R)-6-chloro-7-(4-ethylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934594
5-[ethyl-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfamoyl]-2,3-dimethylbenzoic acid
CID 69236555
5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid
CID 117231567
(2R)-7-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 124673363
6-(difluoromethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 12018480
4-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]piperazine-1-carboxylic acid
CID 67151233

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-2H-chromene-3-carboxylic acid?
The IUPAC name of 2-(fluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-2H-chromene-3-carboxylic acid (CID 151740428) is 2-(fluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 2-(fluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-2H-chromene-3-carboxylic acid?
The canonical SMILES for 2-(fluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-2H-chromene-3-carboxylic acid is O=C(O)C1=Cc2cc(Oc3ccc(C(F)(F)F)cc3)ccc2OC1CF.
What is the InChIKey of 2-(fluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-2H-chromene-3-carboxylic acid?
The InChIKey is RMKIJJVHUBYCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4O4/c19-9-16-14(17(23)24)8-10-7-13(5-6-15(10)26-16)25-12-3-1-11(2-4-12)18(20,21)22/h1-8,16H,9H2,(H,23,24).
What are the key properties of 2-(fluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-2H-chromene-3-carboxylic acid?
2-(fluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-2H-chromene-3-carboxylic acid has a molecular weight of 368.28 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 151740428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).