3,3-difluoro-6-methyl-2,4-dihydrochromene;4,4-difluoro-6-methyl-2,3-dihydrochromene;2,6-dimethyl-3,4-dihydro-2H-chromene;3,6-dimethyl-3,4-dihydro-2H-chromene;4,6-dimethyl-3,4-dihydro-2H-chromene;3-fluoro-6-methyl-3,4-dihydro-2H-chromene;4-fluoro-6-methyl-3,4-dihydro-2H-chromene;6-methyl-3,4-dihydro-2H-chromen-3-ol;2,2,6-trimethyl-3,4-dihydrochromene;3,3,6-trimethyl-2,4-dihydrochromene

C107H128F6O11 — CID 158049368

IUPAC3,3-difluoro-6-methyl-2,4-dihydrochromene;4,4-difluoro-6-methyl-2,3-dihydrochromene;2,6-dimethyl-3,4-dihydro-2H-chromene;3,6-dimethyl-3,4-dihydro-2H-chromene;4,6-dimethyl-3,4-dihydro-2H-chromene;3-fluoro-6-methyl-3,4-dihydro-2H-chromene;4-fluoro-6-methyl-3,4-dihydro-2H-chromene;6-methyl-3,4-dihydro-2H-chromen-3-ol;2,2,6-trimethyl-3,4-dihydrochromene;3,3,6-trimethyl-2,4-dihydrochromene
SMILESCc1ccc2c(c1)C(C)CCO2.Cc1ccc2c(c1)C(F)(F)CCO2.Cc1ccc2c(c1)C(F)CCO2.Cc1ccc2c(c1)CC(C)(C)CO2.Cc1ccc2c(c1)CC(C)CO2.Cc1ccc2c(c1)CC(F)(F)CO2.Cc1ccc2c(c1)CC(F)CO2.Cc1ccc2c(c1)CC(O)CO2.Cc1ccc2c(c1)CCC(C)(C)O2.Cc1ccc2c(c1)CCC(C)O2
InChIInChI=1S/2C12H16O.3C11H14O.2C10H10F2O.2C10H11FO.C10H12O2/c1-9-4-5-11-10(6-9)7-12(2,3)8-13-11;1-9-4-5-11-10(8-9)6-7-12(2,3)13-11;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-8-3-4-11-10(5-8)6-9(2)7-12-11;1-8-3-4-11-10(7-8)9(2)5-6-12-11;1-7-2-3-9-8(4-7)5-10(11,12)6-13-9;1-7-2-3-9-8(6-7)10(11,12)4-5-13-9;1-7-2-3-10-8(4-7)5-9(11)6-12-10;1-7-2-3-10-8(6-7)9(11)4-5-12-10;1-7-2-3-10-8(4-7)5-9(11)6-12-10/h4-6H,7-8H2,1-3H3;4-5,8H,6-7H2,1-3H3;3,6-7,9H,4-5H2,1-2H3;3-5,9H,6-7H2,1-2H3;3-4,7,9H,5-6H2,1-2H3;2-4H,5-6H2,1H3;2-3,6H,4-5H2,1H3;2-4,9H,5-6H2,1H3;2-3,6,9H,4-5H2,1H3;2-4,9,11H,5-6H2,1H3
InChIKeyFJHGUOUOYBTMCS-UHFFFAOYSA-N
MW1704.18 g/mol
LogP25.99
Rot. Bonds

About 3,3-difluoro-6-methyl-2,4-dihydrochromene;4,4-difluoro-6-methyl-2,3-dihydrochromene;2,6-dimethyl-3,4-dihydro-2H-chromene;3,6-dimethyl-3,4-dihydro-2H-chromene;4,6-dimethyl-3,4-dihydro-2H-chromene;3-fluoro-6-methyl-3,4-dihydro-2H-chromene;4-fluoro-6-methyl-3,4-dihydro-2H-chromene;6-methyl-3,4-dihydro-2H-chromen-3-ol;2,2,6-trimethyl-3,4-dihydrochromene;3,3,6-trimethyl-2,4-dihydrochromene

3,3-difluoro-6-methyl-2,4-dihydrochromene;4,4-difluoro-6-methyl-2,3-dihydrochromene;2,6-dimethyl-3,4-dihydro-2H-chromene;3,6-dimethyl-3,4-dihydro-2H-chromene;4,6-dimethyl-3,4-dihydro-2H-chromene;3-fluoro-6-methyl-3,4-dihydro-2H-chromene;4-fluoro-6-methyl-3,4-dihydro-2H-chromene;6-methyl-3,4-dihydro-2H-chromen-3-ol;2,2,6-trimethyl-3,4-dihydrochromene;3,3,6-trimethyl-2,4-dihydrochromene (PubChem CID 158049368) has the molecular formula C107H128F6O11 and a molecular weight of 1704.18 g/mol. Its IUPAC name is 3,3-difluoro-6-methyl-2,4-dihydrochromene;4,4-difluoro-6-methyl-2,3-dihydrochromene;2,6-dimethyl-3,4-dihydro-2H-chromene;3,6-dimethyl-3,4-dihydro-2H-chromene;4,6-dimethyl-3,4-dihydro-2H-chromene;3-fluoro-6-methyl-3,4-dihydro-2H-chromene;4-fluoro-6-methyl-3,4-dihydro-2H-chromene;6-methyl-3,4-dihydro-2H-chromen-3-ol;2,2,6-trimethyl-3,4-dihydrochromene;3,3,6-trimethyl-2,4-dihydrochromene.

Molecular Properties

Compound Name3,3-difluoro-6-methyl-2,4-dihydrochromene;4,4-difluoro-6-methyl-2,3-dihydrochromene;2,6-dimethyl-3,4-dihydro-2H-chromene;3,6-dimethyl-3,4-dihydro-2H-chromene;4,6-dimethyl-3,4-dihydro-2H-chromene;3-fluoro-6-methyl-3,4-dihydro-2H-chromene;4-fluoro-6-methyl-3,4-dihydro-2H-chromene;6-methyl-3,4-dihydro-2H-chromen-3-ol;2,2,6-trimethyl-3,4-dihydrochromene;3,3,6-trimethyl-2,4-dihydrochromene
PubChem CID158049368
Molecular FormulaC107H128F6O11
Molecular Weight1704.18 g/mol
Exact Mass1702.94
IUPAC Name3,3-difluoro-6-methyl-2,4-dihydrochromene;4,4-difluoro-6-methyl-2,3-dihydrochromene;2,6-dimethyl-3,4-dihydro-2H-chromene;3,6-dimethyl-3,4-dihydro-2H-chromene;4,6-dimethyl-3,4-dihydro-2H-chromene;3-fluoro-6-methyl-3,4-dihydro-2H-chromene;4-fluoro-6-methyl-3,4-dihydro-2H-chromene;6-methyl-3,4-dihydro-2H-chromen-3-ol;2,2,6-trimethyl-3,4-dihydrochromene;3,3,6-trimethyl-2,4-dihydrochromene
SMILESCc1ccc2c(c1)C(C)CCO2.Cc1ccc2c(c1)C(F)(F)CCO2.Cc1ccc2c(c1)C(F)CCO2.Cc1ccc2c(c1)CC(C)(C)CO2.Cc1ccc2c(c1)CC(C)CO2.Cc1ccc2c(c1)CC(F)(F)CO2.Cc1ccc2c(c1)CC(F)CO2.Cc1ccc2c(c1)CC(O)CO2.Cc1ccc2c(c1)CCC(C)(C)O2.Cc1ccc2c(c1)CCC(C)O2
InChIInChI=1S/2C12H16O.3C11H14O.2C10H10F2O.2C10H11FO.C10H12O2/c1-9-4-5-11-10(6-9)7-12(2,3)8-13-11;1-9-4-5-11-10(8-9)6-7-12(2,3)13-11;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-8-3-4-11-10(5-8)6-9(2)7-12-11;1-8-3-4-11-10(7-8)9(2)5-6-12-11;1-7-2-3-9-8(4-7)5-10(11,12)6-13-9;1-7-2-3-9-8(6-7)10(11,12)4-5-13-9;1-7-2-3-10-8(4-7)5-9(11)6-12-10;1-7-2-3-10-8(6-7)9(11)4-5-12-10;1-7-2-3-10-8(4-7)5-9(11)6-12-10/h4-6H,7-8H2,1-3H3;4-5,8H,6-7H2,1-3H3;3,6-7,9H,4-5H2,1-2H3;3-5,9H,6-7H2,1-2H3;3-4,7,9H,5-6H2,1-2H3;2-4H,5-6H2,1H3;2-3,6H,4-5H2,1H3;2-4,9H,5-6H2,1H3;2-3,6,9H,4-5H2,1H3;2-4,9,11H,5-6H2,1H3
InChIKeyFJHGUOUOYBTMCS-UHFFFAOYSA-N
XLogP25.99
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001704.18
LogP ≤ 525.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 3,3-difluoro-6-methyl-2,4-dihydrochromene;4,4-difluoro-6-methyl-2,3-dihydrochromene;2,6-dimethyl-3,4-dihydro-2H-chromene;3,6-dimethyl-3,4-dihydro-2H-chromene;4,6-dimethyl-3,4-dihydro-2H-chromene;3-fluoro-6-methyl-3,4-dihydro-2H-chromene;4-fluoro-6-methyl-3,4-dihydro-2H-chromene;6-methyl-3,4-dihydro-2H-chromen-3-ol;2,2,6-trimethyl-3,4-dihydrochromene;3,3,6-trimethyl-2,4-dihydrochromene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-6-methyl-2,4-dihydrochromene;4,4-difluoro-6-methyl-2,3-dihydrochromene;2,6-dimethyl-3,4-dihydro-2H-chromene;3,6-dimethyl-3,4-dihydro-2H-chromene;4,6-dimethyl-3,4-dihydro-2H-chromene;3-fluoro-6-methyl-3,4-dihydro-2H-chromene;4-fluoro-6-methyl-3,4-dihydro-2H-chromene;6-methyl-3,4-dihydro-2H-chromen-3-ol;2,2,6-trimethyl-3,4-dihydrochromene;3,3,6-trimethyl-2,4-dihydrochromene?
The IUPAC name of 3,3-difluoro-6-methyl-2,4-dihydrochromene;4,4-difluoro-6-methyl-2,3-dihydrochromene;2,6-dimethyl-3,4-dihydro-2H-chromene;3,6-dimethyl-3,4-dihydro-2H-chromene;4,6-dimethyl-3,4-dihydro-2H-chromene;3-fluoro-6-methyl-3,4-dihydro-2H-chromene;4-fluoro-6-methyl-3,4-dihydro-2H-chromene;6-methyl-3,4-dihydro-2H-chromen-3-ol;2,2,6-trimethyl-3,4-dihydrochromene;3,3,6-trimethyl-2,4-dihydrochromene (CID 158049368) is 3,3-difluoro-6-methyl-2,4-dihydrochromene;4,4-difluoro-6-methyl-2,3-dihydrochromene;2,6-dimethyl-3,4-dihydro-2H-chromene;3,6-dimethyl-3,4-dihydro-2H-chromene;4,6-dimethyl-3,4-dihydro-2H-chromene;3-fluoro-6-methyl-3,4-dihydro-2H-chromene;4-fluoro-6-methyl-3,4-dihydro-2H-chromene;6-methyl-3,4-dihydro-2H-chromen-3-ol;2,2,6-trimethyl-3,4-dihydrochromene;3,3,6-trimethyl-2,4-dihydrochromene.
What is the SMILES notation for 3,3-difluoro-6-methyl-2,4-dihydrochromene;4,4-difluoro-6-methyl-2,3-dihydrochromene;2,6-dimethyl-3,4-dihydro-2H-chromene;3,6-dimethyl-3,4-dihydro-2H-chromene;4,6-dimethyl-3,4-dihydro-2H-chromene;3-fluoro-6-methyl-3,4-dihydro-2H-chromene;4-fluoro-6-methyl-3,4-dihydro-2H-chromene;6-methyl-3,4-dihydro-2H-chromen-3-ol;2,2,6-trimethyl-3,4-dihydrochromene;3,3,6-trimethyl-2,4-dihydrochromene?
The canonical SMILES for 3,3-difluoro-6-methyl-2,4-dihydrochromene;4,4-difluoro-6-methyl-2,3-dihydrochromene;2,6-dimethyl-3,4-dihydro-2H-chromene;3,6-dimethyl-3,4-dihydro-2H-chromene;4,6-dimethyl-3,4-dihydro-2H-chromene;3-fluoro-6-methyl-3,4-dihydro-2H-chromene;4-fluoro-6-methyl-3,4-dihydro-2H-chromene;6-methyl-3,4-dihydro-2H-chromen-3-ol;2,2,6-trimethyl-3,4-dihydrochromene;3,3,6-trimethyl-2,4-dihydrochromene is Cc1ccc2c(c1)C(C)CCO2.Cc1ccc2c(c1)C(F)(F)CCO2.Cc1ccc2c(c1)C(F)CCO2.Cc1ccc2c(c1)CC(C)(C)CO2.Cc1ccc2c(c1)CC(C)CO2.Cc1ccc2c(c1)CC(F)(F)CO2.Cc1ccc2c(c1)CC(F)CO2.Cc1ccc2c(c1)CC(O)CO2.Cc1ccc2c(c1)CCC(C)(C)O2.Cc1ccc2c(c1)CCC(C)O2.
What is the InChIKey of 3,3-difluoro-6-methyl-2,4-dihydrochromene;4,4-difluoro-6-methyl-2,3-dihydrochromene;2,6-dimethyl-3,4-dihydro-2H-chromene;3,6-dimethyl-3,4-dihydro-2H-chromene;4,6-dimethyl-3,4-dihydro-2H-chromene;3-fluoro-6-methyl-3,4-dihydro-2H-chromene;4-fluoro-6-methyl-3,4-dihydro-2H-chromene;6-methyl-3,4-dihydro-2H-chromen-3-ol;2,2,6-trimethyl-3,4-dihydrochromene;3,3,6-trimethyl-2,4-dihydrochromene?
The InChIKey is FJHGUOUOYBTMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H16O.3C11H14O.2C10H10F2O.2C10H11FO.C10H12O2/c1-9-4-5-11-10(6-9)7-12(2,3)8-13-11;1-9-4-5-11-10(8-9)6-7-12(2,3)13-11;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-8-3-4-11-10(5-8)6-9(2)7-12-11;1-8-3-4-11-10(7-8)9(2)5-6-12-11;1-7-2-3-9-8(4-7)5-10(11,12)6-13-9;1-7-2-3-9-8(6-7)10(11,12)4-5-13-9;1-7-2-3-10-8(4-7)5-9(11)6-12-10;1-7-2-3-10-8(6-7)9(11)4-5-12-10;1-7-2-3-10-8(4-7)5-9(11)6-12-10/h4-6H,7-8H2,1-3H3;4-5,8H,6-7H2,1-3H3;3,6-7,9H,4-5H2,1-2H3;3-5,9H,6-7H2,1-2H3;3-4,7,9H,5-6H2,1-2H3;2-4H,5-6H2,1H3;2-3,6H,4-5H2,1H3;2-4,9H,5-6H2,1H3;2-3,6,9H,4-5H2,1H3;2-4,9,11H,5-6H2,1H3.
What are the key properties of 3,3-difluoro-6-methyl-2,4-dihydrochromene;4,4-difluoro-6-methyl-2,3-dihydrochromene;2,6-dimethyl-3,4-dihydro-2H-chromene;3,6-dimethyl-3,4-dihydro-2H-chromene;4,6-dimethyl-3,4-dihydro-2H-chromene;3-fluoro-6-methyl-3,4-dihydro-2H-chromene;4-fluoro-6-methyl-3,4-dihydro-2H-chromene;6-methyl-3,4-dihydro-2H-chromen-3-ol;2,2,6-trimethyl-3,4-dihydrochromene;3,3,6-trimethyl-2,4-dihydrochromene?
3,3-difluoro-6-methyl-2,4-dihydrochromene;4,4-difluoro-6-methyl-2,3-dihydrochromene;2,6-dimethyl-3,4-dihydro-2H-chromene;3,6-dimethyl-3,4-dihydro-2H-chromene;4,6-dimethyl-3,4-dihydro-2H-chromene;3-fluoro-6-methyl-3,4-dihydro-2H-chromene;4-fluoro-6-methyl-3,4-dihydro-2H-chromene;6-methyl-3,4-dihydro-2H-chromen-3-ol;2,2,6-trimethyl-3,4-dihydrochromene;3,3,6-trimethyl-2,4-dihydrochromene has a molecular weight of 1704.18 g/mol, XLogP of 25.99, 0 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-6-methyl-2,4-dihydrochromene;4,4-difluoro-6-methyl-2,3-dihydrochromene;2,6-dimethyl-3,4-dihydro-2H-chromene;3,6-dimethyl-3,4-dihydro-2H-chromene;4,6-dimethyl-3,4-dihydro-2H-chromene;3-fluoro-6-methyl-3,4-dihydro-2H-chromene;4-fluoro-6-methyl-3,4-dihydro-2H-chromene;6-methyl-3,4-dihydro-2H-chromen-3-ol;2,2,6-trimethyl-3,4-dihydrochromene;3,3,6-trimethyl-2,4-dihydrochromene is sourced from PubChem (CID 158049368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).