2-ethyl-7-(2-methylpentan-2-yl)-2-(trifluoromethyl)chromene

C18H23F3O — CID 141097889

IUPAC2-ethyl-7-(2-methylpentan-2-yl)-2-(trifluoromethyl)chromene
SMILESCCCC(C)(C)c1ccc2c(c1)OC(CC)(C(F)(F)F)C=C2
InChIInChI=1S/C18H23F3O/c1-5-10-16(3,4)14-8-7-13-9-11-17(6-2,18(19,20)21)22-15(13)12-14/h7-9,11-12H,5-6,10H2,1-4H3
InChIKeyHBYCUVYZCZMITD-UHFFFAOYSA-N
MW312.38 g/mol
LogP5.88
Rot. Bonds4

About 2-ethyl-7-(2-methylpentan-2-yl)-2-(trifluoromethyl)chromene

2-ethyl-7-(2-methylpentan-2-yl)-2-(trifluoromethyl)chromene (PubChem CID 141097889) has the molecular formula C18H23F3O and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-ethyl-7-(2-methylpentan-2-yl)-2-(trifluoromethyl)chromene.

Molecular Properties

Compound Name2-ethyl-7-(2-methylpentan-2-yl)-2-(trifluoromethyl)chromene
PubChem CID141097889
Molecular FormulaC18H23F3O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name2-ethyl-7-(2-methylpentan-2-yl)-2-(trifluoromethyl)chromene
SMILESCCCC(C)(C)c1ccc2c(c1)OC(CC)(C(F)(F)F)C=C2
InChIInChI=1S/C18H23F3O/c1-5-10-16(3,4)14-8-7-13-9-11-17(6-2,18(19,20)21)22-15(13)12-14/h7-9,11-12H,5-6,10H2,1-4H3
InChIKeyHBYCUVYZCZMITD-UHFFFAOYSA-N
XLogP5.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.38
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-(2-methylpentan-2-yl)-2-(trifluoromethyl)chromene?
The IUPAC name of 2-ethyl-7-(2-methylpentan-2-yl)-2-(trifluoromethyl)chromene (CID 141097889) is 2-ethyl-7-(2-methylpentan-2-yl)-2-(trifluoromethyl)chromene.
What is the SMILES notation for 2-ethyl-7-(2-methylpentan-2-yl)-2-(trifluoromethyl)chromene?
The canonical SMILES for 2-ethyl-7-(2-methylpentan-2-yl)-2-(trifluoromethyl)chromene is CCCC(C)(C)c1ccc2c(c1)OC(CC)(C(F)(F)F)C=C2.
What is the InChIKey of 2-ethyl-7-(2-methylpentan-2-yl)-2-(trifluoromethyl)chromene?
The InChIKey is HBYCUVYZCZMITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3O/c1-5-10-16(3,4)14-8-7-13-9-11-17(6-2,18(19,20)21)22-15(13)12-14/h7-9,11-12H,5-6,10H2,1-4H3.
What are the key properties of 2-ethyl-7-(2-methylpentan-2-yl)-2-(trifluoromethyl)chromene?
2-ethyl-7-(2-methylpentan-2-yl)-2-(trifluoromethyl)chromene has a molecular weight of 312.38 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-(2-methylpentan-2-yl)-2-(trifluoromethyl)chromene is sourced from PubChem (CID 141097889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).