5-fluoro-2-(1-pyrrolidin-1-ylethyl)phenol

C12H16FNO — CID 82974867

IUPAC5-fluoro-2-(1-pyrrolidin-1-ylethyl)phenol
SMILESCC(c1ccc(F)cc1O)N1CCCC1
InChIInChI=1S/C12H16FNO/c1-9(14-6-2-3-7-14)11-5-4-10(13)8-12(11)15/h4-5,8-9,15H,2-3,6-7H2,1H3
InChIKeyQSXLSECEXGYILM-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.69
Rot. Bonds2

About 5-fluoro-2-(1-pyrrolidin-1-ylethyl)phenol

5-fluoro-2-(1-pyrrolidin-1-ylethyl)phenol (PubChem CID 82974867) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 5-fluoro-2-(1-pyrrolidin-1-ylethyl)phenol.

Molecular Properties

Compound Name5-fluoro-2-(1-pyrrolidin-1-ylethyl)phenol
PubChem CID82974867
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name5-fluoro-2-(1-pyrrolidin-1-ylethyl)phenol
SMILESCC(c1ccc(F)cc1O)N1CCCC1
InChIInChI=1S/C12H16FNO/c1-9(14-6-2-3-7-14)11-5-4-10(13)8-12(11)15/h4-5,8-9,15H,2-3,6-7H2,1H3
InChIKeyQSXLSECEXGYILM-UHFFFAOYSA-N
XLogP2.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-[1-(4-methyl-1,4-diazepan-1-yl)ethyl]phenol
CID 82974158
2-[1-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-5-fluorophenol
CID 82976686
2-[1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-5-fluorophenol
CID 82979712
1-[1-(4-fluoro-2-hydroxyphenyl)ethyl]azetidine-3-carboxylic acid
CID 65072301
5-fluoro-2-[1-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenol
CID 82982794
5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974711
2-[1-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-5-fluorophenol
CID 103542218
2-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-5-fluorophenol
CID 104961921
5-fluoro-2-[1-(piperidin-1-ylamino)ethyl]phenol
CID 83007049
2-[1-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-5-fluorophenol
CID 82980035
1-[1-(4-fluoro-2-hydroxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65071230
2-[1-(4-tert-butylazepan-1-yl)ethyl]-4-fluorophenol
CID 82965409

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-pyrrolidin-1-ylethyl)phenol?
The IUPAC name of 5-fluoro-2-(1-pyrrolidin-1-ylethyl)phenol (CID 82974867) is 5-fluoro-2-(1-pyrrolidin-1-ylethyl)phenol.
What is the SMILES notation for 5-fluoro-2-(1-pyrrolidin-1-ylethyl)phenol?
The canonical SMILES for 5-fluoro-2-(1-pyrrolidin-1-ylethyl)phenol is CC(c1ccc(F)cc1O)N1CCCC1.
What is the InChIKey of 5-fluoro-2-(1-pyrrolidin-1-ylethyl)phenol?
The InChIKey is QSXLSECEXGYILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-9(14-6-2-3-7-14)11-5-4-10(13)8-12(11)15/h4-5,8-9,15H,2-3,6-7H2,1H3.
What are the key properties of 5-fluoro-2-(1-pyrrolidin-1-ylethyl)phenol?
5-fluoro-2-(1-pyrrolidin-1-ylethyl)phenol has a molecular weight of 209.26 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-pyrrolidin-1-ylethyl)phenol is sourced from PubChem (CID 82974867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).