(3R)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran

C10H11FO2 — CID 58765412

IUPAC(3R)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran
SMILESCOC[C@@H]1COc2c(F)cccc21
InChIInChI=1S/C10H11FO2/c1-12-5-7-6-13-10-8(7)3-2-4-9(10)11/h2-4,7H,5-6H2,1H3/t7-/m1/s1
InChIKeyXTWKHGQARNVCES-SSDOTTSWSA-N
MW182.19 g/mol
LogP1.95
Rot. Bonds2

About (3R)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran

(3R)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran (PubChem CID 58765412) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is (3R)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name(3R)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran
PubChem CID58765412
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name(3R)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran
SMILESCOC[C@@H]1COc2c(F)cccc21
InChIInChI=1S/C10H11FO2/c1-12-5-7-6-13-10-8(7)3-2-4-9(10)11/h2-4,7H,5-6H2,1H3/t7-/m1/s1
InChIKeyXTWKHGQARNVCES-SSDOTTSWSA-N
XLogP1.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of (3R)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran (CID 58765412) is (3R)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for (3R)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for (3R)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran is COC[C@@H]1COc2c(F)cccc21.
What is the InChIKey of (3R)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran?
The InChIKey is XTWKHGQARNVCES-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11FO2/c1-12-5-7-6-13-10-8(7)3-2-4-9(10)11/h2-4,7H,5-6H2,1H3/t7-/m1/s1.
What are the key properties of (3R)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran?
(3R)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran has a molecular weight of 182.19 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 58765412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).