2-(2-chlorophenoxy)-2,7-bis(trifluoromethyl)chromene-3-carboxylic acid

C18H9ClF6O4 — CID 150310934

IUPAC2-(2-chlorophenoxy)-2,7-bis(trifluoromethyl)chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2ccc(C(F)(F)F)cc2OC1(Oc1ccccc1Cl)C(F)(F)F
InChIInChI=1S/C18H9ClF6O4/c19-12-3-1-2-4-13(12)28-16(18(23,24)25)11(15(26)27)7-9-5-6-10(17(20,21)22)8-14(9)29-16/h1-8H,(H,26,27)
InChIKeyGLPJSICARGSDJL-UHFFFAOYSA-N
MW438.71 g/mol
LogP5.56
Rot. Bonds3

About 2-(2-chlorophenoxy)-2,7-bis(trifluoromethyl)chromene-3-carboxylic acid

2-(2-chlorophenoxy)-2,7-bis(trifluoromethyl)chromene-3-carboxylic acid (PubChem CID 150310934) has the molecular formula C18H9ClF6O4 and a molecular weight of 438.71 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-2,7-bis(trifluoromethyl)chromene-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-2,7-bis(trifluoromethyl)chromene-3-carboxylic acid
PubChem CID150310934
Molecular FormulaC18H9ClF6O4
Molecular Weight438.71 g/mol
Exact Mass438.01
IUPAC Name2-(2-chlorophenoxy)-2,7-bis(trifluoromethyl)chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2ccc(C(F)(F)F)cc2OC1(Oc1ccccc1Cl)C(F)(F)F
InChIInChI=1S/C18H9ClF6O4/c19-12-3-1-2-4-13(12)28-16(18(23,24)25)11(15(26)27)7-9-5-6-10(17(20,21)22)8-14(9)29-16/h1-8H,(H,26,27)
InChIKeyGLPJSICARGSDJL-UHFFFAOYSA-N
XLogP5.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.71
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-sulfanyloxy-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 141098191
2-(2-chlorophenoxy)-3-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylpropanoic acid
CID 159661121
2-(methylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 142774364
(2R)-2-(2-chlorophenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
CID 94011805
3-[2-chloro-5-(trifluoromethyl)phenoxy]benzoic acid
CID 19389250
[2-chloro-4-(trifluoromethyl)phenyl] carbamate
CID 68755563
4-(2-chlorophenoxy)-2-(trifluoromethyl)benzoic acid
CID 62703071
2-(2,2-dimethylpropylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 141098044
1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 20571965
2-phenyl-6-(trifluoromethoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 141098076
ethyl (2S)-2-propoxy-2-(trifluoromethyl)chromene-3-carboxylate
CID 99992666
CID 162325333
CID 162325333

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-2,7-bis(trifluoromethyl)chromene-3-carboxylic acid?
The IUPAC name of 2-(2-chlorophenoxy)-2,7-bis(trifluoromethyl)chromene-3-carboxylic acid (CID 150310934) is 2-(2-chlorophenoxy)-2,7-bis(trifluoromethyl)chromene-3-carboxylic acid.
What is the SMILES notation for 2-(2-chlorophenoxy)-2,7-bis(trifluoromethyl)chromene-3-carboxylic acid?
The canonical SMILES for 2-(2-chlorophenoxy)-2,7-bis(trifluoromethyl)chromene-3-carboxylic acid is O=C(O)C1=Cc2ccc(C(F)(F)F)cc2OC1(Oc1ccccc1Cl)C(F)(F)F.
What is the InChIKey of 2-(2-chlorophenoxy)-2,7-bis(trifluoromethyl)chromene-3-carboxylic acid?
The InChIKey is GLPJSICARGSDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClF6O4/c19-12-3-1-2-4-13(12)28-16(18(23,24)25)11(15(26)27)7-9-5-6-10(17(20,21)22)8-14(9)29-16/h1-8H,(H,26,27).
What are the key properties of 2-(2-chlorophenoxy)-2,7-bis(trifluoromethyl)chromene-3-carboxylic acid?
2-(2-chlorophenoxy)-2,7-bis(trifluoromethyl)chromene-3-carboxylic acid has a molecular weight of 438.71 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-2,7-bis(trifluoromethyl)chromene-3-carboxylic acid is sourced from PubChem (CID 150310934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).