5,5-difluoro-2-(2-methylphenyl)-2H-furan

C11H10F2O — CID 177420657

IUPAC5,5-difluoro-2-(2-methylphenyl)-2H-furan
SMILESCc1ccccc1C1C=CC(F)(F)O1
InChIInChI=1S/C11H10F2O/c1-8-4-2-3-5-9(8)10-6-7-11(12,13)14-10/h2-7,10H,1H3
InChIKeyRFMMITXZJZISPC-UHFFFAOYSA-N
MW196.20 g/mol
LogP3.22
Rot. Bonds1

About 5,5-difluoro-2-(2-methylphenyl)-2H-furan

5,5-difluoro-2-(2-methylphenyl)-2H-furan (PubChem CID 177420657) has the molecular formula C11H10F2O and a molecular weight of 196.20 g/mol. Its IUPAC name is 5,5-difluoro-2-(2-methylphenyl)-2H-furan.

Molecular Properties

Compound Name5,5-difluoro-2-(2-methylphenyl)-2H-furan
PubChem CID177420657
Molecular FormulaC11H10F2O
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name5,5-difluoro-2-(2-methylphenyl)-2H-furan
SMILESCc1ccccc1C1C=CC(F)(F)O1
InChIInChI=1S/C11H10F2O/c1-8-4-2-3-5-9(8)10-6-7-11(12,13)14-10/h2-7,10H,1H3
InChIKeyRFMMITXZJZISPC-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 134858980
(3-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-1-yl)-trimethylsilane
CID 73042670
3,3-difluoro-2-(2-methylphenyl)pyrrolidine;hydrochloride
CID 115039884
[(2R,3S)-2-(4-fluorophenyl)-3-(2-methylphenyl)oxiran-2-yl]methanol
CID 88506424
ethane;methane;pentakis(1,2-xylene)
CID 158909718
ethane;1,2-xylene;dihydrochloride
CID 174677530
1-benzyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 71398355
(1R,8S)-1-dodecyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 102580917
2,4-dimethyl-5-(2-methylphenyl)-1,3-dioxolane
CID 118140942
3-(2-methylphenyl)-3H-dithiole
CID 174394947
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
1,2-xylene
CID 173422016

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2-(2-methylphenyl)-2H-furan?
The IUPAC name of 5,5-difluoro-2-(2-methylphenyl)-2H-furan (CID 177420657) is 5,5-difluoro-2-(2-methylphenyl)-2H-furan.
What is the SMILES notation for 5,5-difluoro-2-(2-methylphenyl)-2H-furan?
The canonical SMILES for 5,5-difluoro-2-(2-methylphenyl)-2H-furan is Cc1ccccc1C1C=CC(F)(F)O1.
What is the InChIKey of 5,5-difluoro-2-(2-methylphenyl)-2H-furan?
The InChIKey is RFMMITXZJZISPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O/c1-8-4-2-3-5-9(8)10-6-7-11(12,13)14-10/h2-7,10H,1H3.
What are the key properties of 5,5-difluoro-2-(2-methylphenyl)-2H-furan?
5,5-difluoro-2-(2-methylphenyl)-2H-furan has a molecular weight of 196.20 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2-(2-methylphenyl)-2H-furan is sourced from PubChem (CID 177420657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).