6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene

C11H8ClF3O — CID 54411002

IUPAC6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene
SMILESCc1cc(Cl)cc2c1OC(C(F)(F)F)C=C2
InChIInChI=1S/C11H8ClF3O/c1-6-4-8(12)5-7-2-3-9(11(13,14)15)16-10(6)7/h2-5,9H,1H3
InChIKeyVUDDDASWHYDFPC-UHFFFAOYSA-N
MW248.63 g/mol
LogP3.98
Rot. Bonds

About 6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene

6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene (PubChem CID 54411002) has the molecular formula C11H8ClF3O and a molecular weight of 248.63 g/mol. Its IUPAC name is 6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene.

Molecular Properties

Compound Name6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene
PubChem CID54411002
Molecular FormulaC11H8ClF3O
Molecular Weight248.63 g/mol
Exact Mass248.02
IUPAC Name6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene
SMILESCc1cc(Cl)cc2c1OC(C(F)(F)F)C=C2
InChIInChI=1S/C11H8ClF3O/c1-6-4-8(12)5-7-2-3-9(11(13,14)15)16-10(6)7/h2-5,9H,1H3
InChIKeyVUDDDASWHYDFPC-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.63
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene?
The IUPAC name of 6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene (CID 54411002) is 6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene.
What is the SMILES notation for 6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene?
The canonical SMILES for 6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene is Cc1cc(Cl)cc2c1OC(C(F)(F)F)C=C2.
What is the InChIKey of 6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene?
The InChIKey is VUDDDASWHYDFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3O/c1-6-4-8(12)5-7-2-3-9(11(13,14)15)16-10(6)7/h2-5,9H,1H3.
What are the key properties of 6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene?
6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene has a molecular weight of 248.63 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene is sourced from PubChem (CID 54411002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).