4-fluoro-2-pyrrolidin-2-ylphenol

C10H12FNO — CID 55283497

IUPAC4-fluoro-2-pyrrolidin-2-ylphenol
SMILESOc1ccc(F)cc1C1CCCN1
InChIInChI=1S/C10H12FNO/c11-7-3-4-10(13)8(6-7)9-2-1-5-12-9/h3-4,6,9,12-13H,1-2,5H2
InChIKeyPIHKPXDJNMQHGB-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.96
Rot. Bonds1

About 4-fluoro-2-pyrrolidin-2-ylphenol

4-fluoro-2-pyrrolidin-2-ylphenol (PubChem CID 55283497) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 4-fluoro-2-pyrrolidin-2-ylphenol.

Molecular Properties

Compound Name4-fluoro-2-pyrrolidin-2-ylphenol
PubChem CID55283497
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name4-fluoro-2-pyrrolidin-2-ylphenol
SMILESOc1ccc(F)cc1C1CCCN1
InChIInChI=1S/C10H12FNO/c11-7-3-4-10(13)8(6-7)9-2-1-5-12-9/h3-4,6,9,12-13H,1-2,5H2
InChIKeyPIHKPXDJNMQHGB-UHFFFAOYSA-N
XLogP1.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-azetidin-2-yl]-4-fluorophenol
CID 55277686
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
CID 174947937
CID 174947937
2-(azepan-2-yl)-5-fluorophenol
CID 107014696
[4-fluoro-2-[(2R)-pyrrolidin-2-yl]phenyl]methanol
CID 68912942
4-fluoro-2-pyrrolidin-2-ylbenzoic acid
CID 66690944
4-(1-fluoroethyl)-2-pyrrolidin-2-ylphenol
CID 84677007
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
2-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethoxy)phenol
CID 171196437
2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride
CID 77131964
4-bromo-2-piperidin-2-ylphenol
CID 82623427
(2S)-2-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine
CID 66519451

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-pyrrolidin-2-ylphenol?
The IUPAC name of 4-fluoro-2-pyrrolidin-2-ylphenol (CID 55283497) is 4-fluoro-2-pyrrolidin-2-ylphenol.
What is the SMILES notation for 4-fluoro-2-pyrrolidin-2-ylphenol?
The canonical SMILES for 4-fluoro-2-pyrrolidin-2-ylphenol is Oc1ccc(F)cc1C1CCCN1.
What is the InChIKey of 4-fluoro-2-pyrrolidin-2-ylphenol?
The InChIKey is PIHKPXDJNMQHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-7-3-4-10(13)8(6-7)9-2-1-5-12-9/h3-4,6,9,12-13H,1-2,5H2.
What are the key properties of 4-fluoro-2-pyrrolidin-2-ylphenol?
4-fluoro-2-pyrrolidin-2-ylphenol has a molecular weight of 181.21 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-pyrrolidin-2-ylphenol is sourced from PubChem (CID 55283497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).