2-fluoro-2,3,3a,7a-tetrahydro-1-benzofuran

C8H9FO — CID 68995221

IUPAC2-fluoro-2,3,3a,7a-tetrahydro-1-benzofuran
SMILESFC1CC2C=CC=CC2O1
InChIInChI=1S/C8H9FO/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4,6-8H,5H2
InChIKeyYBUIHHOTKJQOJS-UHFFFAOYSA-N
MW140.16 g/mol
LogP1.81
Rot. Bonds

About 2-fluoro-2,3,3a,7a-tetrahydro-1-benzofuran

2-fluoro-2,3,3a,7a-tetrahydro-1-benzofuran (PubChem CID 68995221) has the molecular formula C8H9FO and a molecular weight of 140.16 g/mol. Its IUPAC name is 2-fluoro-2,3,3a,7a-tetrahydro-1-benzofuran.

Molecular Properties

Compound Name2-fluoro-2,3,3a,7a-tetrahydro-1-benzofuran
PubChem CID68995221
Molecular FormulaC8H9FO
Molecular Weight140.16 g/mol
Exact Mass140.06
IUPAC Name2-fluoro-2,3,3a,7a-tetrahydro-1-benzofuran
SMILESFC1CC2C=CC=CC2O1
InChIInChI=1S/C8H9FO/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4,6-8H,5H2
InChIKeyYBUIHHOTKJQOJS-UHFFFAOYSA-N
XLogP1.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4a,5a,9a,9b-Tetrahydrodibenzofuran
CID 153874
2,3,3a,7a-Tetrahydro-1-benzofuran
CID 17876141
Tetrahydroisobenzofuran
CID 22708525
1,2,4a,5a,9a,9b-Hexahydrodibenzofuran
CID 53819384
7-Fluoro-4-methyl-2,3,7,7a-tetrahydro-1-benzofuran
CID 134238646
5-Fluoro-2-methyl-2,3,5,6-tetrahydro-1-benzofuran
CID 137417397
(2R)-5-fluoro-2,6-dimethyl-2,3,5,6-tetrahydro-1-benzofuran
CID 137417414
2-(Trifluoromethyl)-4a,5a,9a,9b-tetrahydrodibenzofuran
CID 164020020
4-Fluoro-3-methyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5,9-triene
CID 167381007
6-(Prop-2-enoxymethyl)-1,3,3a,4-tetrahydro-2-benzofuran
CID 11332995
2-Methyl-2,3,3a,7a-tetrahydro-1-benzofuran
CID 12614934
1-Methyl-1,3,3a,4-tetrahydro-2-benzofuran
CID 17956373

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2,3,3a,7a-tetrahydro-1-benzofuran?
The IUPAC name of 2-fluoro-2,3,3a,7a-tetrahydro-1-benzofuran (CID 68995221) is 2-fluoro-2,3,3a,7a-tetrahydro-1-benzofuran.
What is the SMILES notation for 2-fluoro-2,3,3a,7a-tetrahydro-1-benzofuran?
The canonical SMILES for 2-fluoro-2,3,3a,7a-tetrahydro-1-benzofuran is FC1CC2C=CC=CC2O1.
What is the InChIKey of 2-fluoro-2,3,3a,7a-tetrahydro-1-benzofuran?
The InChIKey is YBUIHHOTKJQOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4,6-8H,5H2.
What are the key properties of 2-fluoro-2,3,3a,7a-tetrahydro-1-benzofuran?
2-fluoro-2,3,3a,7a-tetrahydro-1-benzofuran has a molecular weight of 140.16 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,3,3a,7a-tetrahydro-1-benzofuran is sourced from PubChem (CID 68995221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).