2-[1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoroethyl]pyrrolidine

C11H18FNO — CID 127016512

IUPAC2-[1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoroethyl]pyrrolidine
SMILESCC(F)(C1=COCCC1)C1CCCN1
InChIInChI=1S/C11H18FNO/c1-11(12,10-5-2-6-13-10)9-4-3-7-14-8-9/h8,10,13H,2-7H2,1H3
InChIKeyVJPLQSJSLLEJGA-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.16
Rot. Bonds2

About 2-[1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoroethyl]pyrrolidine

2-[1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoroethyl]pyrrolidine (PubChem CID 127016512) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-[1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoroethyl]pyrrolidine.

Molecular Properties

Compound Name2-[1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoroethyl]pyrrolidine
PubChem CID127016512
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name2-[1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoroethyl]pyrrolidine
SMILESCC(F)(C1=COCCC1)C1CCCN1
InChIInChI=1S/C11H18FNO/c1-11(12,10-5-2-6-13-10)9-4-3-7-14-8-9/h8,10,13H,2-7H2,1H3
InChIKeyVJPLQSJSLLEJGA-UHFFFAOYSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-2H-pyran-5-yl)-3-fluoropiperidine
CID 104059468
4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoropiperidine
CID 104059469
3-(3,4-dihydro-2H-pyran-5-yl)-3-fluoropyrrolidine
CID 104059473
3-(3,4-dihydro-2H-pyran-5-yl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 104059474
4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoroazepane
CID 104059486
2-[3,4-dihydro-2H-pyran-5-yl(fluoro)methyl]pyrrolidine
CID 106640584
2-[2-(3,4-dihydro-2H-pyran-5-yl)-2-fluoropropyl]piperidine
CID 116011105
3-(3,4-dihydro-2H-pyran-5-yl)-3-fluorobutan-2-amine
CID 130574668
4-[2,3-Dihydrofuran-4-yl(fluoro)methyl]piperidine
CID 130579615
3-(3,4-dihydro-2H-pyran-5-yl)-3-fluoro-2-methylpiperidine
CID 131195903
4-[1-(2,3-Dihydrofuran-4-yl)-1-fluoroethyl]piperidine
CID 133617309
3-[1-(2,3-Dihydrofuran-4-yl)-1-fluoroethyl]piperidine
CID 133670984

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoroethyl]pyrrolidine?
The IUPAC name of 2-[1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoroethyl]pyrrolidine (CID 127016512) is 2-[1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoroethyl]pyrrolidine.
What is the SMILES notation for 2-[1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoroethyl]pyrrolidine?
The canonical SMILES for 2-[1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoroethyl]pyrrolidine is CC(F)(C1=COCCC1)C1CCCN1.
What is the InChIKey of 2-[1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoroethyl]pyrrolidine?
The InChIKey is VJPLQSJSLLEJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c1-11(12,10-5-2-6-13-10)9-4-3-7-14-8-9/h8,10,13H,2-7H2,1H3.
What are the key properties of 2-[1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoroethyl]pyrrolidine?
2-[1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoroethyl]pyrrolidine has a molecular weight of 199.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoroethyl]pyrrolidine is sourced from PubChem (CID 127016512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).