2-(3-chloro-4-fluorophenyl)-5-methylfuran

C11H8ClFO — CID 18338320

IUPAC2-(3-chloro-4-fluorophenyl)-5-methylfuran
SMILESCc1ccc(-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C11H8ClFO/c1-7-2-5-11(14-7)8-3-4-10(13)9(12)6-8/h2-6H,1H3
InChIKeyIIFWQIAMLZLGIW-UHFFFAOYSA-N
MW210.63 g/mol
LogP4.05
Rot. Bonds1

About 2-(3-chloro-4-fluorophenyl)-5-methylfuran

2-(3-chloro-4-fluorophenyl)-5-methylfuran (PubChem CID 18338320) has the molecular formula C11H8ClFO and a molecular weight of 210.63 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-5-methylfuran.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-5-methylfuran
PubChem CID18338320
Molecular FormulaC11H8ClFO
Molecular Weight210.63 g/mol
Exact Mass210.02
IUPAC Name2-(3-chloro-4-fluorophenyl)-5-methylfuran
SMILESCc1ccc(-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C11H8ClFO/c1-7-2-5-11(14-7)8-3-4-10(13)9(12)6-8/h2-6H,1H3
InChIKeyIIFWQIAMLZLGIW-UHFFFAOYSA-N
XLogP4.05
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.63
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-methylfuran?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-methylfuran (CID 18338320) is 2-(3-chloro-4-fluorophenyl)-5-methylfuran.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-5-methylfuran?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-5-methylfuran is Cc1ccc(-c2ccc(F)c(Cl)c2)o1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-5-methylfuran?
The InChIKey is IIFWQIAMLZLGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFO/c1-7-2-5-11(14-7)8-3-4-10(13)9(12)6-8/h2-6H,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-5-methylfuran?
2-(3-chloro-4-fluorophenyl)-5-methylfuran has a molecular weight of 210.63 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-5-methylfuran is sourced from PubChem (CID 18338320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).