1-fluoro-3-methyl-2-benzofuran

C9H7FO — CID 150500001

IUPAC1-fluoro-3-methyl-2-benzofuran
SMILESCc1oc(F)c2ccccc12
InChIInChI=1S/C9H7FO/c1-6-7-4-2-3-5-8(7)9(10)11-6/h2-5H,1H3
InChIKeyHXPOOJBPPSVUNI-UHFFFAOYSA-N
MW150.15 g/mol
LogP2.88
Rot. Bonds

About 1-fluoro-3-methyl-2-benzofuran

1-fluoro-3-methyl-2-benzofuran (PubChem CID 150500001) has the molecular formula C9H7FO and a molecular weight of 150.15 g/mol. Its IUPAC name is 1-fluoro-3-methyl-2-benzofuran.

Molecular Properties

Compound Name1-fluoro-3-methyl-2-benzofuran
PubChem CID150500001
Molecular FormulaC9H7FO
Molecular Weight150.15 g/mol
Exact Mass150.05
IUPAC Name1-fluoro-3-methyl-2-benzofuran
SMILESCc1oc(F)c2ccccc12
InChIInChI=1S/C9H7FO/c1-6-7-4-2-3-5-8(7)9(10)11-6/h2-5H,1H3
InChIKeyHXPOOJBPPSVUNI-UHFFFAOYSA-N
XLogP2.88
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-fluoro-3-methyl-2-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-3-methyl-1-benzofuran
CID 45090481
3-methyl-2-benzofuran-1-carboxylic acid
CID 53435118
5-fluoro-1,3-dimethyl-2-benzofuran
CID 130209558
2,3-dimethyl-1-benzofuran;ethane
CID 142047308
3-fluoro-2-methyl-1H-phosphindole
CID 142964935
ethane;2-methyl-1-benzofuran-3-thiol
CID 145124466
3-methyl-2-(2,3,4,5,6-pentafluorophenyl)-1-benzofuran
CID 51050774
(4-fluoronaphthalen-1-yl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 65153464
2-(3-methyl-2-benzofuran-1-yl)-1,3-benzothiazole
CID 174795692
2-methyl-3-(2,2,2-trifluoroethyl)-1-benzofuran
CID 175141067
2-methyl-3-(trifluoromethyl)chromen-4-one
CID 175746490
2-(dimethoxymethyl)-3-fluoro-1-benzofuran;ethane
CID 169164340

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methyl-2-benzofuran?
The IUPAC name of 1-fluoro-3-methyl-2-benzofuran (CID 150500001) is 1-fluoro-3-methyl-2-benzofuran.
What is the SMILES notation for 1-fluoro-3-methyl-2-benzofuran?
The canonical SMILES for 1-fluoro-3-methyl-2-benzofuran is Cc1oc(F)c2ccccc12.
What is the InChIKey of 1-fluoro-3-methyl-2-benzofuran?
The InChIKey is HXPOOJBPPSVUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO/c1-6-7-4-2-3-5-8(7)9(10)11-6/h2-5H,1H3.
What are the key properties of 1-fluoro-3-methyl-2-benzofuran?
1-fluoro-3-methyl-2-benzofuran has a molecular weight of 150.15 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methyl-2-benzofuran is sourced from PubChem (CID 150500001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).