2-[1-fluoro-2-(oxan-4-yl)ethyl]pyrrolidine

C11H20FNO — CID 106640231

IUPAC2-[1-fluoro-2-(oxan-4-yl)ethyl]pyrrolidine
SMILESFC(CC1CCOCC1)C1CCCN1
InChIInChI=1S/C11H20FNO/c12-10(11-2-1-5-13-11)8-9-3-6-14-7-4-9/h9-11,13H,1-8H2
InChIKeyHVENOYPLIHTNAE-UHFFFAOYSA-N
MW201.28 g/mol
LogP1.89
Rot. Bonds3

About 2-[1-fluoro-2-(oxan-4-yl)ethyl]pyrrolidine

2-[1-fluoro-2-(oxan-4-yl)ethyl]pyrrolidine (PubChem CID 106640231) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 2-[1-fluoro-2-(oxan-4-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name2-[1-fluoro-2-(oxan-4-yl)ethyl]pyrrolidine
PubChem CID106640231
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name2-[1-fluoro-2-(oxan-4-yl)ethyl]pyrrolidine
SMILESFC(CC1CCOCC1)C1CCCN1
InChIInChI=1S/C11H20FNO/c12-10(11-2-1-5-13-11)8-9-3-6-14-7-4-9/h9-11,13H,1-8H2
InChIKeyHVENOYPLIHTNAE-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Oxan-4-yl)pyrrolidine hydrochloride
CID 71758237
2-(Oxan-4-yl)pyrrolidine
CID 62906176
4-[5-(2,2,2-Trifluoroethoxy)pentyl]piperidine
CID 142825207
3,3-Difluoro-4-[1-(oxan-3-yl)propan-2-yl]pyrrolidine
CID 156072219
3,3-Difluoro-4-[5-(oxan-3-yl)hexan-2-yl]pyrrolidine
CID 170414141
(2R)-2-[(1R)-1-fluoro-1-(oxan-4-yl)ethyl]pyrrolidine
CID 178086418
4-Ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]piperidine
CID 64124357
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]piperidine
CID 64125774
N-ethyl-5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine
CID 79953767
5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine
CID 79965180
2-[4-(Trifluoromethyl)oxan-4-yl]pyrrolidine
CID 83910802
4-Fluoro-4-(oxan-4-ylmethyl)azepane
CID 103983964

Frequently Asked Questions

What is the IUPAC name of 2-[1-fluoro-2-(oxan-4-yl)ethyl]pyrrolidine?
The IUPAC name of 2-[1-fluoro-2-(oxan-4-yl)ethyl]pyrrolidine (CID 106640231) is 2-[1-fluoro-2-(oxan-4-yl)ethyl]pyrrolidine.
What is the SMILES notation for 2-[1-fluoro-2-(oxan-4-yl)ethyl]pyrrolidine?
The canonical SMILES for 2-[1-fluoro-2-(oxan-4-yl)ethyl]pyrrolidine is FC(CC1CCOCC1)C1CCCN1.
What is the InChIKey of 2-[1-fluoro-2-(oxan-4-yl)ethyl]pyrrolidine?
The InChIKey is HVENOYPLIHTNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c12-10(11-2-1-5-13-11)8-9-3-6-14-7-4-9/h9-11,13H,1-8H2.
What are the key properties of 2-[1-fluoro-2-(oxan-4-yl)ethyl]pyrrolidine?
2-[1-fluoro-2-(oxan-4-yl)ethyl]pyrrolidine has a molecular weight of 201.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-fluoro-2-(oxan-4-yl)ethyl]pyrrolidine is sourced from PubChem (CID 106640231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).