7-chloro-5-fluoro-2,2,4-trimethyl-3H-1-benzofuran

C11H12ClFO — CID 22955947

IUPAC7-chloro-5-fluoro-2,2,4-trimethyl-3H-1-benzofuran
SMILESCc1c(F)cc(Cl)c2c1CC(C)(C)O2
InChIInChI=1S/C11H12ClFO/c1-6-7-5-11(2,3)14-10(7)8(12)4-9(6)13/h4H,5H2,1-3H3
InChIKeyGFEPDORILUZJJD-UHFFFAOYSA-N
MW214.67 g/mol
LogP3.50
Rot. Bonds

About 7-chloro-5-fluoro-2,2,4-trimethyl-3H-1-benzofuran

7-chloro-5-fluoro-2,2,4-trimethyl-3H-1-benzofuran (PubChem CID 22955947) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is 7-chloro-5-fluoro-2,2,4-trimethyl-3H-1-benzofuran.

Molecular Properties

Compound Name7-chloro-5-fluoro-2,2,4-trimethyl-3H-1-benzofuran
PubChem CID22955947
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name7-chloro-5-fluoro-2,2,4-trimethyl-3H-1-benzofuran
SMILESCc1c(F)cc(Cl)c2c1CC(C)(C)O2
InChIInChI=1S/C11H12ClFO/c1-6-7-5-11(2,3)14-10(7)8(12)4-9(6)13/h4H,5H2,1-3H3
InChIKeyGFEPDORILUZJJD-UHFFFAOYSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-fluoro-2,2,4-trimethyl-3H-1-benzofuran?
The IUPAC name of 7-chloro-5-fluoro-2,2,4-trimethyl-3H-1-benzofuran (CID 22955947) is 7-chloro-5-fluoro-2,2,4-trimethyl-3H-1-benzofuran.
What is the SMILES notation for 7-chloro-5-fluoro-2,2,4-trimethyl-3H-1-benzofuran?
The canonical SMILES for 7-chloro-5-fluoro-2,2,4-trimethyl-3H-1-benzofuran is Cc1c(F)cc(Cl)c2c1CC(C)(C)O2.
What is the InChIKey of 7-chloro-5-fluoro-2,2,4-trimethyl-3H-1-benzofuran?
The InChIKey is GFEPDORILUZJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO/c1-6-7-5-11(2,3)14-10(7)8(12)4-9(6)13/h4H,5H2,1-3H3.
What are the key properties of 7-chloro-5-fluoro-2,2,4-trimethyl-3H-1-benzofuran?
7-chloro-5-fluoro-2,2,4-trimethyl-3H-1-benzofuran has a molecular weight of 214.67 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-fluoro-2,2,4-trimethyl-3H-1-benzofuran is sourced from PubChem (CID 22955947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).