1-fluoro-1-[3-(2-fluoropiperidin-4-yl)phenyl]ethanol

C13H17F2NO — CID 174525974

IUPAC1-fluoro-1-[3-(2-fluoropiperidin-4-yl)phenyl]ethanol
SMILESCC(O)(F)c1cccc(C2CCNC(F)C2)c1
InChIInChI=1S/C13H17F2NO/c1-13(15,17)11-4-2-3-9(7-11)10-5-6-16-12(14)8-10/h2-4,7,10,12,16-17H,5-6,8H2,1H3
InChIKeyZEWBZFMZNSOZHB-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.58
Rot. Bonds2

About 1-fluoro-1-[3-(2-fluoropiperidin-4-yl)phenyl]ethanol

1-fluoro-1-[3-(2-fluoropiperidin-4-yl)phenyl]ethanol (PubChem CID 174525974) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-fluoro-1-[3-(2-fluoropiperidin-4-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-fluoro-1-[3-(2-fluoropiperidin-4-yl)phenyl]ethanol
PubChem CID174525974
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name1-fluoro-1-[3-(2-fluoropiperidin-4-yl)phenyl]ethanol
SMILESCC(O)(F)c1cccc(C2CCNC(F)C2)c1
InChIInChI=1S/C13H17F2NO/c1-13(15,17)11-4-2-3-9(7-11)10-5-6-16-12(14)8-10/h2-4,7,10,12,16-17H,5-6,8H2,1H3
InChIKeyZEWBZFMZNSOZHB-UHFFFAOYSA-N
XLogP2.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-[3-(2-fluoropiperidin-4-yl)phenyl]ethanol?
The IUPAC name of 1-fluoro-1-[3-(2-fluoropiperidin-4-yl)phenyl]ethanol (CID 174525974) is 1-fluoro-1-[3-(2-fluoropiperidin-4-yl)phenyl]ethanol.
What is the SMILES notation for 1-fluoro-1-[3-(2-fluoropiperidin-4-yl)phenyl]ethanol?
The canonical SMILES for 1-fluoro-1-[3-(2-fluoropiperidin-4-yl)phenyl]ethanol is CC(O)(F)c1cccc(C2CCNC(F)C2)c1.
What is the InChIKey of 1-fluoro-1-[3-(2-fluoropiperidin-4-yl)phenyl]ethanol?
The InChIKey is ZEWBZFMZNSOZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-13(15,17)11-4-2-3-9(7-11)10-5-6-16-12(14)8-10/h2-4,7,10,12,16-17H,5-6,8H2,1H3.
What are the key properties of 1-fluoro-1-[3-(2-fluoropiperidin-4-yl)phenyl]ethanol?
1-fluoro-1-[3-(2-fluoropiperidin-4-yl)phenyl]ethanol has a molecular weight of 241.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-[3-(2-fluoropiperidin-4-yl)phenyl]ethanol is sourced from PubChem (CID 174525974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).