3-[2-(2-fluorophenoxy)ethyl]pyrrolidine;hydrochloride

C12H17ClFNO — CID 146064557

IUPAC3-[2-(2-fluorophenoxy)ethyl]pyrrolidine;hydrochloride
SMILESCl.Fc1ccccc1OCCC1CCNC1
InChIInChI=1S/C12H16FNO.ClH/c13-11-3-1-2-4-12(11)15-8-6-10-5-7-14-9-10;/h1-4,10,14H,5-9H2;1H
InChIKeyAMHLCXDRBWVUNL-UHFFFAOYSA-N
MW245.72 g/mol
LogP2.63
Rot. Bonds4

About 3-[2-(2-fluorophenoxy)ethyl]pyrrolidine;hydrochloride

3-[2-(2-fluorophenoxy)ethyl]pyrrolidine;hydrochloride (PubChem CID 146064557) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is 3-[2-(2-fluorophenoxy)ethyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-[2-(2-fluorophenoxy)ethyl]pyrrolidine;hydrochloride
PubChem CID146064557
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name3-[2-(2-fluorophenoxy)ethyl]pyrrolidine;hydrochloride
SMILESCl.Fc1ccccc1OCCC1CCNC1
InChIInChI=1S/C12H16FNO.ClH/c13-11-3-1-2-4-12(11)15-8-6-10-5-7-14-9-10;/h1-4,10,14H,5-9H2;1H
InChIKeyAMHLCXDRBWVUNL-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(2-fluorophenoxy)methyl]pyrrolidine
CID 86316087
difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine
CID 166104221
4-[2-(2-ethoxyphenoxy)ethyl]piperidine;hydrochloride
CID 56830114
(3R)-3-[2-(2-bromophenoxy)ethyl]piperidine
CID 86320898
(3S)-3-[2-(2-bromophenoxy)ethyl]piperidine
CID 86320896
(3R)-3-[2-(2-ethoxyphenoxy)ethyl]piperidine
CID 86321016
4-(2-naphthalen-1-yloxyethyl)piperidine;hydrochloride
CID 75539369
3-[2-(4-bromo-2-fluorophenoxy)ethyl]piperidine
CID 56830459
3-propoxy-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796587
3-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine;hydrochloride
CID 56830076
1-(6-cyclopropylhexoxy)-2-fluorobenzene
CID 91224434
4-[2-(2-fluoro-5-methylphenoxy)ethyl]piperidine
CID 64854447

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenoxy)ethyl]pyrrolidine;hydrochloride?
The IUPAC name of 3-[2-(2-fluorophenoxy)ethyl]pyrrolidine;hydrochloride (CID 146064557) is 3-[2-(2-fluorophenoxy)ethyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 3-[2-(2-fluorophenoxy)ethyl]pyrrolidine;hydrochloride?
The canonical SMILES for 3-[2-(2-fluorophenoxy)ethyl]pyrrolidine;hydrochloride is Cl.Fc1ccccc1OCCC1CCNC1.
What is the InChIKey of 3-[2-(2-fluorophenoxy)ethyl]pyrrolidine;hydrochloride?
The InChIKey is AMHLCXDRBWVUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO.ClH/c13-11-3-1-2-4-12(11)15-8-6-10-5-7-14-9-10;/h1-4,10,14H,5-9H2;1H.
What are the key properties of 3-[2-(2-fluorophenoxy)ethyl]pyrrolidine;hydrochloride?
3-[2-(2-fluorophenoxy)ethyl]pyrrolidine;hydrochloride has a molecular weight of 245.72 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenoxy)ethyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 146064557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).