5-fluoro-2-methyl-2,3,5,6-tetrahydro-1-benzofuran

C9H11FO — CID 137417397

IUPAC5-fluoro-2-methyl-2,3,5,6-tetrahydro-1-benzofuran
SMILESCC1CC2=CC(F)CC=C2O1
InChIInChI=1S/C9H11FO/c1-6-4-7-5-8(10)2-3-9(7)11-6/h3,5-6,8H,2,4H2,1H3
InChIKeyZDVVMUIAHRBYHY-UHFFFAOYSA-N
MW154.18 g/mol
LogP2.35
Rot. Bonds

About 5-fluoro-2-methyl-2,3,5,6-tetrahydro-1-benzofuran

5-fluoro-2-methyl-2,3,5,6-tetrahydro-1-benzofuran (PubChem CID 137417397) has the molecular formula C9H11FO and a molecular weight of 154.18 g/mol. Its IUPAC name is 5-fluoro-2-methyl-2,3,5,6-tetrahydro-1-benzofuran.

Molecular Properties

Compound Name5-fluoro-2-methyl-2,3,5,6-tetrahydro-1-benzofuran
PubChem CID137417397
Molecular FormulaC9H11FO
Molecular Weight154.18 g/mol
Exact Mass154.08
IUPAC Name5-fluoro-2-methyl-2,3,5,6-tetrahydro-1-benzofuran
SMILESCC1CC2=CC(F)CC=C2O1
InChIInChI=1S/C9H11FO/c1-6-4-7-5-8(10)2-3-9(7)11-6/h3,5-6,8H,2,4H2,1H3
InChIKeyZDVVMUIAHRBYHY-UHFFFAOYSA-N
XLogP2.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-2,3,5,6-tetrahydro-1-benzofuran?
The IUPAC name of 5-fluoro-2-methyl-2,3,5,6-tetrahydro-1-benzofuran (CID 137417397) is 5-fluoro-2-methyl-2,3,5,6-tetrahydro-1-benzofuran.
What is the SMILES notation for 5-fluoro-2-methyl-2,3,5,6-tetrahydro-1-benzofuran?
The canonical SMILES for 5-fluoro-2-methyl-2,3,5,6-tetrahydro-1-benzofuran is CC1CC2=CC(F)CC=C2O1.
What is the InChIKey of 5-fluoro-2-methyl-2,3,5,6-tetrahydro-1-benzofuran?
The InChIKey is ZDVVMUIAHRBYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO/c1-6-4-7-5-8(10)2-3-9(7)11-6/h3,5-6,8H,2,4H2,1H3.
What are the key properties of 5-fluoro-2-methyl-2,3,5,6-tetrahydro-1-benzofuran?
5-fluoro-2-methyl-2,3,5,6-tetrahydro-1-benzofuran has a molecular weight of 154.18 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-2,3,5,6-tetrahydro-1-benzofuran is sourced from PubChem (CID 137417397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).