3-fluoro-2-(4-methoxyphenyl)pyrrolidine;hydrochloride

C11H15ClFNO — CID 115038605

IUPAC3-fluoro-2-(4-methoxyphenyl)pyrrolidine;hydrochloride
SMILESCOc1ccc(C2NCCC2F)cc1.Cl
InChIInChI=1S/C11H14FNO.ClH/c1-14-9-4-2-8(3-5-9)11-10(12)6-7-13-11;/h2-5,10-11,13H,6-7H2,1H3;1H
InChIKeyISUYRTRVLCOMAY-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.49
Rot. Bonds2

About 3-fluoro-2-(4-methoxyphenyl)pyrrolidine;hydrochloride

3-fluoro-2-(4-methoxyphenyl)pyrrolidine;hydrochloride (PubChem CID 115038605) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 3-fluoro-2-(4-methoxyphenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-fluoro-2-(4-methoxyphenyl)pyrrolidine;hydrochloride
PubChem CID115038605
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name3-fluoro-2-(4-methoxyphenyl)pyrrolidine;hydrochloride
SMILESCOc1ccc(C2NCCC2F)cc1.Cl
InChIInChI=1S/C11H14FNO.ClH/c1-14-9-4-2-8(3-5-9)11-10(12)6-7-13-11;/h2-5,10-11,13H,6-7H2,1H3;1H
InChIKeyISUYRTRVLCOMAY-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
trans-(8R,9R)-8,9-bis(4-methoxyphenyl)-1,4-dioxa-7,10-diazacyclododecane
CID 10905147
2-[2-(4-methoxyphenyl)piperidin-3-yl]propan-2-ol;hydrochloride
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3-fluoro-2-(4-fluorophenyl)piperidine;hydrochloride
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(2S)-2-(6-methoxynaphthalen-2-yl)azetidine;hydrochloride
CID 171196650
3-(methoxymethyl)-2-(4-methoxyphenyl)piperidine
CID 105496567
3-ethyl-2-(6-methoxynaphthalen-2-yl)pyrrolidine
CID 64689084
(2S,3S)-3-fluoro-2-phenylpiperidine;hydrochloride
CID 167716918
3-methoxy-2-(4-methylphenyl)pyrrolidine
CID 105445330
(2S,3S)-3-fluoro-2-phenylpiperidine
CID 167716919
4-(4-methoxyphenyl)-1,3-diazinane
CID 123665094
(4S)-4-(4-methoxyphenyl)azepane
CID 95439149

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(4-methoxyphenyl)pyrrolidine;hydrochloride?
The IUPAC name of 3-fluoro-2-(4-methoxyphenyl)pyrrolidine;hydrochloride (CID 115038605) is 3-fluoro-2-(4-methoxyphenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-fluoro-2-(4-methoxyphenyl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-fluoro-2-(4-methoxyphenyl)pyrrolidine;hydrochloride is COc1ccc(C2NCCC2F)cc1.Cl.
What is the InChIKey of 3-fluoro-2-(4-methoxyphenyl)pyrrolidine;hydrochloride?
The InChIKey is ISUYRTRVLCOMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO.ClH/c1-14-9-4-2-8(3-5-9)11-10(12)6-7-13-11;/h2-5,10-11,13H,6-7H2,1H3;1H.
What are the key properties of 3-fluoro-2-(4-methoxyphenyl)pyrrolidine;hydrochloride?
3-fluoro-2-(4-methoxyphenyl)pyrrolidine;hydrochloride has a molecular weight of 231.70 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(4-methoxyphenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 115038605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).