3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropyrrolidine

C9H14FNO — CID 102648246

IUPAC3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropyrrolidine
SMILESFC1(C2=CCCCO2)CCNC1
InChIInChI=1S/C9H14FNO/c10-9(4-5-11-7-9)8-3-1-2-6-12-8/h3,11H,1-2,4-7H2
InChIKeyOBQVINCDJLMVOX-UHFFFAOYSA-N
MW171.21 g/mol
LogP1.38
Rot. Bonds1

About 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropyrrolidine

3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropyrrolidine (PubChem CID 102648246) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropyrrolidine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropyrrolidine
PubChem CID102648246
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropyrrolidine
SMILESFC1(C2=CCCCO2)CCNC1
InChIInChI=1S/C9H14FNO/c10-9(4-5-11-7-9)8-3-1-2-6-12-8/h3,11H,1-2,4-7H2
InChIKeyOBQVINCDJLMVOX-UHFFFAOYSA-N
XLogP1.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropyrrolidine 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 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropyrrolidine?
The IUPAC name of 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropyrrolidine (CID 102648246) is 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropyrrolidine.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropyrrolidine?
The canonical SMILES for 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropyrrolidine is FC1(C2=CCCCO2)CCNC1.
What is the InChIKey of 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropyrrolidine?
The InChIKey is OBQVINCDJLMVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c10-9(4-5-11-7-9)8-3-1-2-6-12-8/h3,11H,1-2,4-7H2.
What are the key properties of 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropyrrolidine?
3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropyrrolidine has a molecular weight of 171.21 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropyrrolidine is sourced from PubChem (CID 102648246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).