1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine

C12H15ClFNO — CID 82727267

IUPAC1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine
SMILESFc1cc(OCCN2CCCC2)ccc1Cl
InChIInChI=1S/C12H15ClFNO/c13-11-4-3-10(9-12(11)14)16-8-7-15-5-1-2-6-15/h3-4,9H,1-2,5-8H2
InChIKeyOIDHKAIORIUPQS-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.95
Rot. Bonds4

About 1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine

1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine (PubChem CID 82727267) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine
PubChem CID82727267
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine
SMILESFc1cc(OCCN2CCCC2)ccc1Cl
InChIInChI=1S/C12H15ClFNO/c13-11-4-3-10(9-12(11)14)16-8-7-15-5-1-2-6-15/h3-4,9H,1-2,5-8H2
InChIKeyOIDHKAIORIUPQS-UHFFFAOYSA-N
XLogP2.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 107910973
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(1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 107719023
(1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanol
CID 107720404
1-[2-[4-(4-chlorobut-1-ynyl)-3-fluorophenoxy]ethyl]piperidine
CID 65201769
2-chloro-4-(2-pyrrolidin-1-ylethoxy)pyridine
CID 63778456
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine
CID 18678156
1-[2-(4-chloro-3-ethylphenoxy)ethyl]-4-ethylpiperazine
CID 973456
1-chloro-4-(2-cyclopropylethoxy)-2-fluorobenzene
CID 82727266
1-[2-(3,4-dimethylphenoxy)ethyl]azepane
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1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene
CID 82727335

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine (CID 82727267) is 1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine is Fc1cc(OCCN2CCCC2)ccc1Cl.
What is the InChIKey of 1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine?
The InChIKey is OIDHKAIORIUPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-11-4-3-10(9-12(11)14)16-8-7-15-5-1-2-6-15/h3-4,9H,1-2,5-8H2.
What are the key properties of 1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine?
1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine has a molecular weight of 243.71 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 82727267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).