2-(1-fluoroethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran

C10H17FO — CID 70384054

IUPAC2-(1-fluoroethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
SMILESCC(F)C1CC2CCCCC2O1
InChIInChI=1S/C10H17FO/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h7-10H,2-6H2,1H3
InChIKeyJQOIFJONZKCEKV-UHFFFAOYSA-N
MW172.24 g/mol
LogP2.69
Rot. Bonds1

About 2-(1-fluoroethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran

2-(1-fluoroethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran (PubChem CID 70384054) has the molecular formula C10H17FO and a molecular weight of 172.24 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran.

Molecular Properties

Compound Name2-(1-fluoroethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
PubChem CID70384054
Molecular FormulaC10H17FO
Molecular Weight172.24 g/mol
Exact Mass172.13
IUPAC Name2-(1-fluoroethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
SMILESCC(F)C1CC2CCCCC2O1
InChIInChI=1S/C10H17FO/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h7-10H,2-6H2,1H3
InChIKeyJQOIFJONZKCEKV-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(1-fluoroethyl)-2,3,3a,4,5,6,7,7a-octahydro-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 2-(1-fluoroethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran?
The IUPAC name of 2-(1-fluoroethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran (CID 70384054) is 2-(1-fluoroethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran.
What is the SMILES notation for 2-(1-fluoroethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran?
The canonical SMILES for 2-(1-fluoroethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran is CC(F)C1CC2CCCCC2O1.
What is the InChIKey of 2-(1-fluoroethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran?
The InChIKey is JQOIFJONZKCEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h7-10H,2-6H2,1H3.
What are the key properties of 2-(1-fluoroethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran?
2-(1-fluoroethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran has a molecular weight of 172.24 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran is sourced from PubChem (CID 70384054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).