2-fluoro-4-[2-[3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]ethoxy]phenol

C19H21F2NO2 — CID 54115631

IUPAC2-fluoro-4-[2-[3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]ethoxy]phenol
SMILESOc1ccc(OCCN2CCC(Cc3ccccc3F)C2)cc1F
InChIInChI=1S/C19H21F2NO2/c20-17-4-2-1-3-15(17)11-14-7-8-22(13-14)9-10-24-16-5-6-19(23)18(21)12-16/h1-6,12,14,23H,7-11,13H2
InChIKeyNKDLZXCLJVALSJ-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.61
Rot. Bonds6

About 2-fluoro-4-[2-[3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]ethoxy]phenol

2-fluoro-4-[2-[3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]ethoxy]phenol (PubChem CID 54115631) has the molecular formula C19H21F2NO2 and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-fluoro-4-[2-[3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]ethoxy]phenol.

Molecular Properties

Compound Name2-fluoro-4-[2-[3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]ethoxy]phenol
PubChem CID54115631
Molecular FormulaC19H21F2NO2
Molecular Weight333.38 g/mol
Exact Mass333.15
IUPAC Name2-fluoro-4-[2-[3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]ethoxy]phenol
SMILESOc1ccc(OCCN2CCC(Cc3ccccc3F)C2)cc1F
InChIInChI=1S/C19H21F2NO2/c20-17-4-2-1-3-15(17)11-14-7-8-22(13-14)9-10-24-16-5-6-19(23)18(21)12-16/h1-6,12,14,23H,7-11,13H2
InChIKeyNKDLZXCLJVALSJ-UHFFFAOYSA-N
XLogP3.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
CID 23294365
3-[(2-fluorophenyl)methyl]-1-[2-(3-methyl-4-phenylmethoxyphenoxy)ethyl]pyrrolidine;hydrochloride
CID 70072153
1-benzyl-3-[(2-fluorophenyl)methyl]pyrrolidine
CID 10614560
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
2-(3-fluoro-4-hydroxyphenyl)-1-[[4-[2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]ethoxy]phenyl]methyl]-3-methylindol-5-ol
CID 122622103
2-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-4-methoxyphenol
CID 42591152
4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid
CID 2923141
[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methanamine
CID 28803272
[1-(3-naphthalen-2-yloxypropyl)pyrrolidin-3-yl]methanol
CID 111442695
3-[(3-chlorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidine
CID 67647985
2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]acetamide
CID 75370712
4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride
CID 23294547

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-[3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]ethoxy]phenol?
The IUPAC name of 2-fluoro-4-[2-[3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]ethoxy]phenol (CID 54115631) is 2-fluoro-4-[2-[3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]ethoxy]phenol.
What is the SMILES notation for 2-fluoro-4-[2-[3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]ethoxy]phenol?
The canonical SMILES for 2-fluoro-4-[2-[3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]ethoxy]phenol is Oc1ccc(OCCN2CCC(Cc3ccccc3F)C2)cc1F.
What is the InChIKey of 2-fluoro-4-[2-[3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]ethoxy]phenol?
The InChIKey is NKDLZXCLJVALSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO2/c20-17-4-2-1-3-15(17)11-14-7-8-22(13-14)9-10-24-16-5-6-19(23)18(21)12-16/h1-6,12,14,23H,7-11,13H2.
What are the key properties of 2-fluoro-4-[2-[3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]ethoxy]phenol?
2-fluoro-4-[2-[3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]ethoxy]phenol has a molecular weight of 333.38 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-[3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]ethoxy]phenol is sourced from PubChem (CID 54115631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).