5-fluoro-1,3-dimethyl-2-benzofuran

C10H9FO — CID 130209558

IUPAC5-fluoro-1,3-dimethyl-2-benzofuran
SMILESCc1oc(C)c2cc(F)ccc12
InChIInChI=1S/C10H9FO/c1-6-9-4-3-8(11)5-10(9)7(2)12-6/h3-5H,1-2H3
InChIKeyBQNWKOVPRJHLEL-UHFFFAOYSA-N
MW164.18 g/mol
LogP3.19
Rot. Bonds

About 5-fluoro-1,3-dimethyl-2-benzofuran

5-fluoro-1,3-dimethyl-2-benzofuran (PubChem CID 130209558) has the molecular formula C10H9FO and a molecular weight of 164.18 g/mol. Its IUPAC name is 5-fluoro-1,3-dimethyl-2-benzofuran.

Molecular Properties

Compound Name5-fluoro-1,3-dimethyl-2-benzofuran
PubChem CID130209558
Molecular FormulaC10H9FO
Molecular Weight164.18 g/mol
Exact Mass164.06
IUPAC Name5-fluoro-1,3-dimethyl-2-benzofuran
SMILESCc1oc(C)c2cc(F)ccc12
InChIInChI=1S/C10H9FO/c1-6-9-4-3-8(11)5-10(9)7(2)12-6/h3-5H,1-2H3
InChIKeyBQNWKOVPRJHLEL-UHFFFAOYSA-N
XLogP3.19
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-fluoro-2-methyl-1-benzofuran-3-yl)methanamine
CID 83906292
2-fluorotriphenylene
CID 23233895
1-fluoro-3-methyl-2-benzofuran
CID 150500001
3,6-difluoro-1-methylnaphthalene
CID 138605249
2-(1-chloro-2-methylpropyl)-5-fluoro-3-methyl-1-benzofuran
CID 66778604
6-(18F)fluoro-3-methyl-1,2-benzoxazole
CID 129087270
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylprop-2-en-1-ol
CID 105110464
3-(5-fluoro-2-methyl-1-benzofuran-3-yl)propanoic acid
CID 83910707
3-(benzenesulfonyl)-5-fluoro-2-methyl-1-benzofuran
CID 139078337
(3,5-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol
CID 105079226
8-fluoro-3-methyl-[1]benzofuro[3,2-c]chromen-6-one
CID 118531178
6-fluoro-2-methyl-4H-thieno[3,2-b]indole
CID 121385599

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-dimethyl-2-benzofuran?
The IUPAC name of 5-fluoro-1,3-dimethyl-2-benzofuran (CID 130209558) is 5-fluoro-1,3-dimethyl-2-benzofuran.
What is the SMILES notation for 5-fluoro-1,3-dimethyl-2-benzofuran?
The canonical SMILES for 5-fluoro-1,3-dimethyl-2-benzofuran is Cc1oc(C)c2cc(F)ccc12.
What is the InChIKey of 5-fluoro-1,3-dimethyl-2-benzofuran?
The InChIKey is BQNWKOVPRJHLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO/c1-6-9-4-3-8(11)5-10(9)7(2)12-6/h3-5H,1-2H3.
What are the key properties of 5-fluoro-1,3-dimethyl-2-benzofuran?
5-fluoro-1,3-dimethyl-2-benzofuran has a molecular weight of 164.18 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-dimethyl-2-benzofuran is sourced from PubChem (CID 130209558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).