(4aR,7aS)-1-(2-fluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine

C9H16FNO — CID 130723850

IUPAC(4aR,7aS)-1-(2-fluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine
SMILESFCCN1CCC[C@H]2COC[C@H]21
InChIInChI=1S/C9H16FNO/c10-3-5-11-4-1-2-8-6-12-7-9(8)11/h8-9H,1-7H2/t8-,9+/m0/s1
InChIKeyJFWUAQPBGZOXNY-DTWKUNHWSA-N
MW173.23 g/mol
LogP1.07
Rot. Bonds2

About (4aR,7aS)-1-(2-fluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine

(4aR,7aS)-1-(2-fluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine (PubChem CID 130723850) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (4aR,7aS)-1-(2-fluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine.

Molecular Properties

Compound Name(4aR,7aS)-1-(2-fluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine
PubChem CID130723850
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(4aR,7aS)-1-(2-fluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine
SMILESFCCN1CCC[C@H]2COC[C@H]21
InChIInChI=1S/C9H16FNO/c10-3-5-11-4-1-2-8-6-12-7-9(8)11/h8-9H,1-7H2/t8-,9+/m0/s1
InChIKeyJFWUAQPBGZOXNY-DTWKUNHWSA-N
XLogP1.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4aR,7aS)-1-(2-fluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine 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-8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 167161624
(4aR,7aS)-1-(2,2-difluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine
CID 130610139
(4aR,7aS)-1-(3-fluoropropyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine
CID 131084391
(7S,7aS)-4-fluoro-1,7-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrano[3,4-b]pyrrole
CID 177009188
7-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 57748772
7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 68029557
6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole
CID 70350782
(7S,8aS)-7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 89166362
6,7-dimethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole
CID 89512612
1-methyl-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine
CID 89716243
6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole
CID 90337630
6-tert-butyl-3-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole
CID 118901662

Frequently Asked Questions

What is the IUPAC name of (4aR,7aS)-1-(2-fluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine?
The IUPAC name of (4aR,7aS)-1-(2-fluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine (CID 130723850) is (4aR,7aS)-1-(2-fluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine.
What is the SMILES notation for (4aR,7aS)-1-(2-fluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine?
The canonical SMILES for (4aR,7aS)-1-(2-fluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine is FCCN1CCC[C@H]2COC[C@H]21.
What is the InChIKey of (4aR,7aS)-1-(2-fluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine?
The InChIKey is JFWUAQPBGZOXNY-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H16FNO/c10-3-5-11-4-1-2-8-6-12-7-9(8)11/h8-9H,1-7H2/t8-,9+/m0/s1.
What are the key properties of (4aR,7aS)-1-(2-fluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine?
(4aR,7aS)-1-(2-fluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine has a molecular weight of 173.23 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aS)-1-(2-fluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine is sourced from PubChem (CID 130723850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).