4,4-difluoro-5-methyl-2,3-dihydrochromene

C10H10F2O — CID 84718816

IUPAC4,4-difluoro-5-methyl-2,3-dihydrochromene
SMILESCc1cccc2c1C(F)(F)CCO2
InChIInChI=1S/C10H10F2O/c1-7-3-2-4-8-9(7)10(11,12)5-6-13-8/h2-4H,5-6H2,1H3
InChIKeyXVZQROAFCRDLKN-UHFFFAOYSA-N
MW184.19 g/mol
LogP2.87
Rot. Bonds

About 4,4-difluoro-5-methyl-2,3-dihydrochromene

4,4-difluoro-5-methyl-2,3-dihydrochromene (PubChem CID 84718816) has the molecular formula C10H10F2O and a molecular weight of 184.19 g/mol. Its IUPAC name is 4,4-difluoro-5-methyl-2,3-dihydrochromene.

Molecular Properties

Compound Name4,4-difluoro-5-methyl-2,3-dihydrochromene
PubChem CID84718816
Molecular FormulaC10H10F2O
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name4,4-difluoro-5-methyl-2,3-dihydrochromene
SMILESCc1cccc2c1C(F)(F)CCO2
InChIInChI=1S/C10H10F2O/c1-7-3-2-4-8-9(7)10(11,12)5-6-13-8/h2-4H,5-6H2,1H3
InChIKeyXVZQROAFCRDLKN-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,4-difluoro-5-methyl-2,3-dihydrochromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-4-fluoro-4-methyl-2,3-dihydrochromene
CID 84728489
4,4-difluoro-7-methyl-2,3-dihydrochromene
CID 84718817
5-fluoro-4-methyl-2,3-dihydrochromen-4-ol
CID 126963399
4-[(4,4-difluoro-2,3-dihydrochromen-6-yl)methyl]-8-methyl-1,2,3,4-tetrahydroisoquinoline
CID 138580603
3,3,6-trimethyl-2,4-dihydro-1,5-benzodioxepine
CID 156791936
4,4-difluoro-2,3-dihydrochromen-6-amine
CID 83853743
7-methyl-2,3,5,6-tetrahydro-1,4-benzodioxocine
CID 170038060
1,1-difluoro-3,3,4-trimethyl-2H-indene
CID 170185955
4,4-difluoro-2,3-dihydrochromen-8-amine
CID 84659928
benzene;3,4-dihydro-2H-1,5-benzodioxepine;ethane
CID 159794832
1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-amine
CID 117293465
1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol
CID 117294683

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-5-methyl-2,3-dihydrochromene?
The IUPAC name of 4,4-difluoro-5-methyl-2,3-dihydrochromene (CID 84718816) is 4,4-difluoro-5-methyl-2,3-dihydrochromene.
What is the SMILES notation for 4,4-difluoro-5-methyl-2,3-dihydrochromene?
The canonical SMILES for 4,4-difluoro-5-methyl-2,3-dihydrochromene is Cc1cccc2c1C(F)(F)CCO2.
What is the InChIKey of 4,4-difluoro-5-methyl-2,3-dihydrochromene?
The InChIKey is XVZQROAFCRDLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O/c1-7-3-2-4-8-9(7)10(11,12)5-6-13-8/h2-4H,5-6H2,1H3.
What are the key properties of 4,4-difluoro-5-methyl-2,3-dihydrochromene?
4,4-difluoro-5-methyl-2,3-dihydrochromene has a molecular weight of 184.19 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-5-methyl-2,3-dihydrochromene is sourced from PubChem (CID 84718816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).