2,2-difluoro-5,8-dimethyl-3,4-dihydrochromene

C11H12F2O — CID 143987826

IUPAC2,2-difluoro-5,8-dimethyl-3,4-dihydrochromene
SMILESCc1ccc(C)c2c1CCC(F)(F)O2
InChIInChI=1S/C11H12F2O/c1-7-3-4-8(2)10-9(7)5-6-11(12,13)14-10/h3-4H,5-6H2,1-2H3
InChIKeyNJFXNAPDFBLLFG-UHFFFAOYSA-N
MW198.21 g/mol
LogP3.22
Rot. Bonds

About 2,2-difluoro-5,8-dimethyl-3,4-dihydrochromene

2,2-difluoro-5,8-dimethyl-3,4-dihydrochromene (PubChem CID 143987826) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is 2,2-difluoro-5,8-dimethyl-3,4-dihydrochromene.

Molecular Properties

Compound Name2,2-difluoro-5,8-dimethyl-3,4-dihydrochromene
PubChem CID143987826
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name2,2-difluoro-5,8-dimethyl-3,4-dihydrochromene
SMILESCc1ccc(C)c2c1CCC(F)(F)O2
InChIInChI=1S/C11H12F2O/c1-7-3-4-8(2)10-9(7)5-6-11(12,13)14-10/h3-4H,5-6H2,1-2H3
InChIKeyNJFXNAPDFBLLFG-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5,8-dimethyl-3,4-dihydrochromene?
The IUPAC name of 2,2-difluoro-5,8-dimethyl-3,4-dihydrochromene (CID 143987826) is 2,2-difluoro-5,8-dimethyl-3,4-dihydrochromene.
What is the SMILES notation for 2,2-difluoro-5,8-dimethyl-3,4-dihydrochromene?
The canonical SMILES for 2,2-difluoro-5,8-dimethyl-3,4-dihydrochromene is Cc1ccc(C)c2c1CCC(F)(F)O2.
What is the InChIKey of 2,2-difluoro-5,8-dimethyl-3,4-dihydrochromene?
The InChIKey is NJFXNAPDFBLLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O/c1-7-3-4-8(2)10-9(7)5-6-11(12,13)14-10/h3-4H,5-6H2,1-2H3.
What are the key properties of 2,2-difluoro-5,8-dimethyl-3,4-dihydrochromene?
2,2-difluoro-5,8-dimethyl-3,4-dihydrochromene has a molecular weight of 198.21 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5,8-dimethyl-3,4-dihydrochromene is sourced from PubChem (CID 143987826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).