5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene

C11H11F3O — CID 134208901

IUPAC5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene
SMILESCc1ccc(C(F)(F)F)c2c1CCCO2
InChIInChI=1S/C11H11F3O/c1-7-4-5-9(11(12,13)14)10-8(7)3-2-6-15-10/h4-5H,2-3,6H2,1H3
InChIKeyIADAYWJAMTZDMJ-UHFFFAOYSA-N
MW216.20 g/mol
LogP3.34
Rot. Bonds

About 5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene

5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene (PubChem CID 134208901) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is 5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene
PubChem CID134208901
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene
SMILESCc1ccc(C(F)(F)F)c2c1CCCO2
InChIInChI=1S/C11H11F3O/c1-7-4-5-9(11(12,13)14)10-8(7)3-2-6-15-10/h4-5H,2-3,6H2,1H3
InChIKeyIADAYWJAMTZDMJ-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene (CID 134208901) is 5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene is Cc1ccc(C(F)(F)F)c2c1CCCO2.
What is the InChIKey of 5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The InChIKey is IADAYWJAMTZDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O/c1-7-4-5-9(11(12,13)14)10-8(7)3-2-6-15-10/h4-5H,2-3,6H2,1H3.
What are the key properties of 5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene?
5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene has a molecular weight of 216.20 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 134208901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).