(2R)-2-(trifluoromethyl)-7-(2,3,5-trimethylphenoxy)-2H-chromene

C19H17F3O2 — CID 141098201

IUPAC(2R)-2-(trifluoromethyl)-7-(2,3,5-trimethylphenoxy)-2H-chromene
SMILESCc1cc(C)c(C)c(Oc2ccc3c(c2)O[C@@H](C(F)(F)F)C=C3)c1
InChIInChI=1S/C19H17F3O2/c1-11-8-12(2)13(3)16(9-11)23-15-6-4-14-5-7-18(19(20,21)22)24-17(14)10-15/h4-10,18H,1-3H3/t18-/m1/s1
InChIKeyJHUHOHSTDOSINY-GOSISDBHSA-N
MW334.34 g/mol
LogP5.74
Rot. Bonds2

About (2R)-2-(trifluoromethyl)-7-(2,3,5-trimethylphenoxy)-2H-chromene

(2R)-2-(trifluoromethyl)-7-(2,3,5-trimethylphenoxy)-2H-chromene (PubChem CID 141098201) has the molecular formula C19H17F3O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is (2R)-2-(trifluoromethyl)-7-(2,3,5-trimethylphenoxy)-2H-chromene.

Molecular Properties

Compound Name(2R)-2-(trifluoromethyl)-7-(2,3,5-trimethylphenoxy)-2H-chromene
PubChem CID141098201
Molecular FormulaC19H17F3O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name(2R)-2-(trifluoromethyl)-7-(2,3,5-trimethylphenoxy)-2H-chromene
SMILESCc1cc(C)c(C)c(Oc2ccc3c(c2)O[C@@H](C(F)(F)F)C=C3)c1
InChIInChI=1S/C19H17F3O2/c1-11-8-12(2)13(3)16(9-11)23-15-6-4-14-5-7-18(19(20,21)22)24-17(14)10-15/h4-10,18H,1-3H3/t18-/m1/s1
InChIKeyJHUHOHSTDOSINY-GOSISDBHSA-N
XLogP5.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.34
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(trifluoromethyl)-7-(2,3,5-trimethylphenoxy)-2H-chromene?
The IUPAC name of (2R)-2-(trifluoromethyl)-7-(2,3,5-trimethylphenoxy)-2H-chromene (CID 141098201) is (2R)-2-(trifluoromethyl)-7-(2,3,5-trimethylphenoxy)-2H-chromene.
What is the SMILES notation for (2R)-2-(trifluoromethyl)-7-(2,3,5-trimethylphenoxy)-2H-chromene?
The canonical SMILES for (2R)-2-(trifluoromethyl)-7-(2,3,5-trimethylphenoxy)-2H-chromene is Cc1cc(C)c(C)c(Oc2ccc3c(c2)O[C@@H](C(F)(F)F)C=C3)c1.
What is the InChIKey of (2R)-2-(trifluoromethyl)-7-(2,3,5-trimethylphenoxy)-2H-chromene?
The InChIKey is JHUHOHSTDOSINY-GOSISDBHSA-N. The full InChI is InChI=1S/C19H17F3O2/c1-11-8-12(2)13(3)16(9-11)23-15-6-4-14-5-7-18(19(20,21)22)24-17(14)10-15/h4-10,18H,1-3H3/t18-/m1/s1.
What are the key properties of (2R)-2-(trifluoromethyl)-7-(2,3,5-trimethylphenoxy)-2H-chromene?
(2R)-2-(trifluoromethyl)-7-(2,3,5-trimethylphenoxy)-2H-chromene has a molecular weight of 334.34 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(trifluoromethyl)-7-(2,3,5-trimethylphenoxy)-2H-chromene is sourced from PubChem (CID 141098201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).