4-(1-fluoroethyl)-2-pyrrolidin-2-ylphenol

C12H16FNO — CID 84677007

IUPAC4-(1-fluoroethyl)-2-pyrrolidin-2-ylphenol
SMILESCC(F)c1ccc(O)c(C2CCCN2)c1
InChIInChI=1S/C12H16FNO/c1-8(13)9-4-5-12(15)10(7-9)11-3-2-6-14-11/h4-5,7-8,11,14-15H,2-3,6H2,1H3
InChIKeyPMXCZNWIHCKFSO-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.85
Rot. Bonds2

About 4-(1-fluoroethyl)-2-pyrrolidin-2-ylphenol

4-(1-fluoroethyl)-2-pyrrolidin-2-ylphenol (PubChem CID 84677007) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 4-(1-fluoroethyl)-2-pyrrolidin-2-ylphenol.

Molecular Properties

Compound Name4-(1-fluoroethyl)-2-pyrrolidin-2-ylphenol
PubChem CID84677007
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name4-(1-fluoroethyl)-2-pyrrolidin-2-ylphenol
SMILESCC(F)c1ccc(O)c(C2CCCN2)c1
InChIInChI=1S/C12H16FNO/c1-8(13)9-4-5-12(15)10(7-9)11-3-2-6-14-11/h4-5,7-8,11,14-15H,2-3,6H2,1H3
InChIKeyPMXCZNWIHCKFSO-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.85
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-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine
CID 84688515
4-fluoro-2-pyrrolidin-2-ylphenol
CID 55283497
2-[5-(difluoromethyl)-2-fluorophenyl]pyrrolidine
CID 77131569
2-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethoxy)phenol
CID 171196437
4-bromo-2-piperidin-2-ylphenol
CID 82623427
2-[2-chloro-5-(difluoromethyl)phenyl]piperidine
CID 84705366
4-methoxy-2-[(2S)-piperidin-2-yl]phenol
CID 131531573
4-methoxy-2-[(2R)-piperidin-2-yl]phenol
CID 131513044
4-(2-methoxyethyl)-2-[(2S)-pyrrolidin-2-yl]phenol
CID 66519378
5-methyl-2-pyrrolidin-2-ylphenol
CID 55283329
2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518911
methyl 2-[4-hydroxy-3-[(2R)-pyrrolidin-2-yl]phenyl]acetate
CID 66519346

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethyl)-2-pyrrolidin-2-ylphenol?
The IUPAC name of 4-(1-fluoroethyl)-2-pyrrolidin-2-ylphenol (CID 84677007) is 4-(1-fluoroethyl)-2-pyrrolidin-2-ylphenol.
What is the SMILES notation for 4-(1-fluoroethyl)-2-pyrrolidin-2-ylphenol?
The canonical SMILES for 4-(1-fluoroethyl)-2-pyrrolidin-2-ylphenol is CC(F)c1ccc(O)c(C2CCCN2)c1.
What is the InChIKey of 4-(1-fluoroethyl)-2-pyrrolidin-2-ylphenol?
The InChIKey is PMXCZNWIHCKFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8(13)9-4-5-12(15)10(7-9)11-3-2-6-14-11/h4-5,7-8,11,14-15H,2-3,6H2,1H3.
What are the key properties of 4-(1-fluoroethyl)-2-pyrrolidin-2-ylphenol?
4-(1-fluoroethyl)-2-pyrrolidin-2-ylphenol has a molecular weight of 209.26 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethyl)-2-pyrrolidin-2-ylphenol is sourced from PubChem (CID 84677007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).