3-[4-(2-fluoro-4-methylphenyl)phenoxy]pyrrolidine

C17H18FNO — CID 90736825

IUPAC3-[4-(2-fluoro-4-methylphenyl)phenoxy]pyrrolidine
SMILESCc1ccc(-c2ccc(OC3CCNC3)cc2)c(F)c1
InChIInChI=1S/C17H18FNO/c1-12-2-7-16(17(18)10-12)13-3-5-14(6-4-13)20-15-8-9-19-11-15/h2-7,10,15,19H,8-9,11H2,1H3
InChIKeyZYQXCKGTDVEHSH-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.54
Rot. Bonds3

About 3-[4-(2-fluoro-4-methylphenyl)phenoxy]pyrrolidine

3-[4-(2-fluoro-4-methylphenyl)phenoxy]pyrrolidine (PubChem CID 90736825) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-[4-(2-fluoro-4-methylphenyl)phenoxy]pyrrolidine.

Molecular Properties

Compound Name3-[4-(2-fluoro-4-methylphenyl)phenoxy]pyrrolidine
PubChem CID90736825
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name3-[4-(2-fluoro-4-methylphenyl)phenoxy]pyrrolidine
SMILESCc1ccc(-c2ccc(OC3CCNC3)cc2)c(F)c1
InChIInChI=1S/C17H18FNO/c1-12-2-7-16(17(18)10-12)13-3-5-14(6-4-13)20-15-8-9-19-11-15/h2-7,10,15,19H,8-9,11H2,1H3
InChIKeyZYQXCKGTDVEHSH-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenoxy)pyrrolidine
CID 18337173
3-[4-(2-fluoro-4-methylsulfonylphenyl)phenoxy]pyrrolidine
CID 68606724
(3S)-3-(4-fluorophenoxy)pyrrolidine
CID 26192125
[6-(2-fluoro-4-methylphenyl)-5-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7H-benzo[7]annulen-2-yl] 2,2-dimethylpropanoate;hydrochloride
CID 130233354
(3S)-3-(3,5-dimethylphenoxy)pyrrolidine
CID 26192104
(3R)-3-(3-methylphenoxy)pyrrolidine
CID 24795651
3-(3-methylphenoxy)pyrrolidine
CID 18337170
3-(3,5-dimethylphenoxy)pyrrolidine;hydrochloride
CID 46735722
(3S)-3-(3-bromo-4-fluorophenoxy)pyrrolidine
CID 83234121
(3S)-3-[4-chloro-2-(4-methylphenoxy)phenoxy]pyrrolidine
CID 46216005
3-[4-(1-fluoroethyl)phenoxy]pyrrolidine
CID 115026405
2-(4-methylphenyl)-6-pyrrolidin-3-yloxy-1,3-benzothiazole
CID 82190025

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluoro-4-methylphenyl)phenoxy]pyrrolidine?
The IUPAC name of 3-[4-(2-fluoro-4-methylphenyl)phenoxy]pyrrolidine (CID 90736825) is 3-[4-(2-fluoro-4-methylphenyl)phenoxy]pyrrolidine.
What is the SMILES notation for 3-[4-(2-fluoro-4-methylphenyl)phenoxy]pyrrolidine?
The canonical SMILES for 3-[4-(2-fluoro-4-methylphenyl)phenoxy]pyrrolidine is Cc1ccc(-c2ccc(OC3CCNC3)cc2)c(F)c1.
What is the InChIKey of 3-[4-(2-fluoro-4-methylphenyl)phenoxy]pyrrolidine?
The InChIKey is ZYQXCKGTDVEHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-12-2-7-16(17(18)10-12)13-3-5-14(6-4-13)20-15-8-9-19-11-15/h2-7,10,15,19H,8-9,11H2,1H3.
What are the key properties of 3-[4-(2-fluoro-4-methylphenyl)phenoxy]pyrrolidine?
3-[4-(2-fluoro-4-methylphenyl)phenoxy]pyrrolidine has a molecular weight of 271.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluoro-4-methylphenyl)phenoxy]pyrrolidine is sourced from PubChem (CID 90736825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).