2-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]pyrrolidine

C11H18FNO — CID 130787790

IUPAC2-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]pyrrolidine
SMILESCC(F)(C1=CCCCO1)C1CCCN1
InChIInChI=1S/C11H18FNO/c1-11(12,9-5-4-7-13-9)10-6-2-3-8-14-10/h6,9,13H,2-5,7-8H2,1H3
InChIKeyYAUJSAOXXMVAGB-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.16
Rot. Bonds2

About 2-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]pyrrolidine

2-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]pyrrolidine (PubChem CID 130787790) 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-6-yl)-1-fluoroethyl]pyrrolidine.

Molecular Properties

Compound Name2-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]pyrrolidine
PubChem CID130787790
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name2-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]pyrrolidine
SMILESCC(F)(C1=CCCCO1)C1CCCN1
InChIInChI=1S/C11H18FNO/c1-11(12,9-5-4-7-13-9)10-6-2-3-8-14-10/h6,9,13H,2-5,7-8H2,1H3
InChIKeyYAUJSAOXXMVAGB-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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]pyrrolidine?
The IUPAC name of 2-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]pyrrolidine (CID 130787790) is 2-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]pyrrolidine.
What is the SMILES notation for 2-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]pyrrolidine?
The canonical SMILES for 2-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]pyrrolidine is CC(F)(C1=CCCCO1)C1CCCN1.
What is the InChIKey of 2-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]pyrrolidine?
The InChIKey is YAUJSAOXXMVAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c1-11(12,9-5-4-7-13-9)10-6-2-3-8-14-10/h6,9,13H,2-5,7-8H2,1H3.
What are the key properties of 2-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]pyrrolidine?
2-[1-(3,4-dihydro-2H-pyran-6-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-6-yl)-1-fluoroethyl]pyrrolidine is sourced from PubChem (CID 130787790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).