2-(4-chloro-5-fluoro-2,3-dimethylphenyl)furan

C12H10ClFO — CID 173231916

IUPAC2-(4-chloro-5-fluoro-2,3-dimethylphenyl)furan
SMILESCc1c(-c2ccco2)cc(F)c(Cl)c1C
InChIInChI=1S/C12H10ClFO/c1-7-8(2)12(13)10(14)6-9(7)11-4-3-5-15-11/h3-6H,1-2H3
InChIKeyMUFYVIKSIOYXFN-UHFFFAOYSA-N
MW224.66 g/mol
LogP4.36
Rot. Bonds1

About 2-(4-chloro-5-fluoro-2,3-dimethylphenyl)furan

2-(4-chloro-5-fluoro-2,3-dimethylphenyl)furan (PubChem CID 173231916) has the molecular formula C12H10ClFO and a molecular weight of 224.66 g/mol. Its IUPAC name is 2-(4-chloro-5-fluoro-2,3-dimethylphenyl)furan.

Molecular Properties

Compound Name2-(4-chloro-5-fluoro-2,3-dimethylphenyl)furan
PubChem CID173231916
Molecular FormulaC12H10ClFO
Molecular Weight224.66 g/mol
Exact Mass224.04
IUPAC Name2-(4-chloro-5-fluoro-2,3-dimethylphenyl)furan
SMILESCc1c(-c2ccco2)cc(F)c(Cl)c1C
InChIInChI=1S/C12H10ClFO/c1-7-8(2)12(13)10(14)6-9(7)11-4-3-5-15-11/h3-6H,1-2H3
InChIKeyMUFYVIKSIOYXFN-UHFFFAOYSA-N
XLogP4.36
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.66
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-fluoro-2,3-dimethylphenyl)furan?
The IUPAC name of 2-(4-chloro-5-fluoro-2,3-dimethylphenyl)furan (CID 173231916) is 2-(4-chloro-5-fluoro-2,3-dimethylphenyl)furan.
What is the SMILES notation for 2-(4-chloro-5-fluoro-2,3-dimethylphenyl)furan?
The canonical SMILES for 2-(4-chloro-5-fluoro-2,3-dimethylphenyl)furan is Cc1c(-c2ccco2)cc(F)c(Cl)c1C.
What is the InChIKey of 2-(4-chloro-5-fluoro-2,3-dimethylphenyl)furan?
The InChIKey is MUFYVIKSIOYXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFO/c1-7-8(2)12(13)10(14)6-9(7)11-4-3-5-15-11/h3-6H,1-2H3.
What are the key properties of 2-(4-chloro-5-fluoro-2,3-dimethylphenyl)furan?
2-(4-chloro-5-fluoro-2,3-dimethylphenyl)furan has a molecular weight of 224.66 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-fluoro-2,3-dimethylphenyl)furan is sourced from PubChem (CID 173231916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).