6-chloro-2-ethyl-7-(2-methylhexan-2-yl)-2-(trifluoromethyl)chromene

C19H24ClF3O — CID 141097882

IUPAC6-chloro-2-ethyl-7-(2-methylhexan-2-yl)-2-(trifluoromethyl)chromene
SMILESCCCCC(C)(C)c1cc2c(cc1Cl)C=CC(CC)(C(F)(F)F)O2
InChIInChI=1S/C19H24ClF3O/c1-5-7-9-17(3,4)14-12-16-13(11-15(14)20)8-10-18(6-2,24-16)19(21,22)23/h8,10-12H,5-7,9H2,1-4H3
InChIKeyZUPDPEHPRVUNCY-UHFFFAOYSA-N
MW360.85 g/mol
LogP6.92
Rot. Bonds5

About 6-chloro-2-ethyl-7-(2-methylhexan-2-yl)-2-(trifluoromethyl)chromene

6-chloro-2-ethyl-7-(2-methylhexan-2-yl)-2-(trifluoromethyl)chromene (PubChem CID 141097882) has the molecular formula C19H24ClF3O and a molecular weight of 360.85 g/mol. Its IUPAC name is 6-chloro-2-ethyl-7-(2-methylhexan-2-yl)-2-(trifluoromethyl)chromene.

Molecular Properties

Compound Name6-chloro-2-ethyl-7-(2-methylhexan-2-yl)-2-(trifluoromethyl)chromene
PubChem CID141097882
Molecular FormulaC19H24ClF3O
Molecular Weight360.85 g/mol
Exact Mass360.15
IUPAC Name6-chloro-2-ethyl-7-(2-methylhexan-2-yl)-2-(trifluoromethyl)chromene
SMILESCCCCC(C)(C)c1cc2c(cc1Cl)C=CC(CC)(C(F)(F)F)O2
InChIInChI=1S/C19H24ClF3O/c1-5-7-9-17(3,4)14-12-16-13(11-15(14)20)8-10-18(6-2,24-16)19(21,22)23/h8,10-12H,5-7,9H2,1-4H3
InChIKeyZUPDPEHPRVUNCY-UHFFFAOYSA-N
XLogP6.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.85
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-7-(2-methylhexan-2-yl)-2-(trifluoromethyl)chromene?
The IUPAC name of 6-chloro-2-ethyl-7-(2-methylhexan-2-yl)-2-(trifluoromethyl)chromene (CID 141097882) is 6-chloro-2-ethyl-7-(2-methylhexan-2-yl)-2-(trifluoromethyl)chromene.
What is the SMILES notation for 6-chloro-2-ethyl-7-(2-methylhexan-2-yl)-2-(trifluoromethyl)chromene?
The canonical SMILES for 6-chloro-2-ethyl-7-(2-methylhexan-2-yl)-2-(trifluoromethyl)chromene is CCCCC(C)(C)c1cc2c(cc1Cl)C=CC(CC)(C(F)(F)F)O2.
What is the InChIKey of 6-chloro-2-ethyl-7-(2-methylhexan-2-yl)-2-(trifluoromethyl)chromene?
The InChIKey is ZUPDPEHPRVUNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClF3O/c1-5-7-9-17(3,4)14-12-16-13(11-15(14)20)8-10-18(6-2,24-16)19(21,22)23/h8,10-12H,5-7,9H2,1-4H3.
What are the key properties of 6-chloro-2-ethyl-7-(2-methylhexan-2-yl)-2-(trifluoromethyl)chromene?
6-chloro-2-ethyl-7-(2-methylhexan-2-yl)-2-(trifluoromethyl)chromene has a molecular weight of 360.85 g/mol, XLogP of 6.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-7-(2-methylhexan-2-yl)-2-(trifluoromethyl)chromene is sourced from PubChem (CID 141097882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).