2-ethyl-5-methyl-2-(trifluoromethyl)chromene

C13H13F3O — CID 141097999

IUPAC2-ethyl-5-methyl-2-(trifluoromethyl)chromene
SMILESCCC1(C(F)(F)F)C=Cc2c(C)cccc2O1
InChIInChI=1S/C13H13F3O/c1-3-12(13(14,15)16)8-7-10-9(2)5-4-6-11(10)17-12/h4-8H,3H2,1-2H3
InChIKeyMFSLESDUAVXXLN-UHFFFAOYSA-N
MW242.24 g/mol
LogP4.11
Rot. Bonds1

About 2-ethyl-5-methyl-2-(trifluoromethyl)chromene

2-ethyl-5-methyl-2-(trifluoromethyl)chromene (PubChem CID 141097999) has the molecular formula C13H13F3O and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-ethyl-5-methyl-2-(trifluoromethyl)chromene.

Molecular Properties

Compound Name2-ethyl-5-methyl-2-(trifluoromethyl)chromene
PubChem CID141097999
Molecular FormulaC13H13F3O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name2-ethyl-5-methyl-2-(trifluoromethyl)chromene
SMILESCCC1(C(F)(F)F)C=Cc2c(C)cccc2O1
InChIInChI=1S/C13H13F3O/c1-3-12(13(14,15)16)8-7-10-9(2)5-4-6-11(10)17-12/h4-8H,3H2,1-2H3
InChIKeyMFSLESDUAVXXLN-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-2-(trifluoromethyl)chromene?
The IUPAC name of 2-ethyl-5-methyl-2-(trifluoromethyl)chromene (CID 141097999) is 2-ethyl-5-methyl-2-(trifluoromethyl)chromene.
What is the SMILES notation for 2-ethyl-5-methyl-2-(trifluoromethyl)chromene?
The canonical SMILES for 2-ethyl-5-methyl-2-(trifluoromethyl)chromene is CCC1(C(F)(F)F)C=Cc2c(C)cccc2O1.
What is the InChIKey of 2-ethyl-5-methyl-2-(trifluoromethyl)chromene?
The InChIKey is MFSLESDUAVXXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O/c1-3-12(13(14,15)16)8-7-10-9(2)5-4-6-11(10)17-12/h4-8H,3H2,1-2H3.
What are the key properties of 2-ethyl-5-methyl-2-(trifluoromethyl)chromene?
2-ethyl-5-methyl-2-(trifluoromethyl)chromene has a molecular weight of 242.24 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-2-(trifluoromethyl)chromene is sourced from PubChem (CID 141097999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).