2-[1-fluoro-1-(oxan-4-yl)ethyl]phenol

C13H17FO2 — CID 115034518

IUPAC2-[1-fluoro-1-(oxan-4-yl)ethyl]phenol
SMILESCC(F)(c1ccccc1O)C1CCOCC1
InChIInChI=1S/C13H17FO2/c1-13(14,10-6-8-16-9-7-10)11-4-2-3-5-12(11)15/h2-5,10,15H,6-9H2,1H3
InChIKeyHOIXBZALIAFXSB-UHFFFAOYSA-N
MW224.28 g/mol
LogP3.00
Rot. Bonds2

About 2-[1-fluoro-1-(oxan-4-yl)ethyl]phenol

2-[1-fluoro-1-(oxan-4-yl)ethyl]phenol (PubChem CID 115034518) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-[1-fluoro-1-(oxan-4-yl)ethyl]phenol.

Molecular Properties

Compound Name2-[1-fluoro-1-(oxan-4-yl)ethyl]phenol
PubChem CID115034518
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name2-[1-fluoro-1-(oxan-4-yl)ethyl]phenol
SMILESCC(F)(c1ccccc1O)C1CCOCC1
InChIInChI=1S/C13H17FO2/c1-13(14,10-6-8-16-9-7-10)11-4-2-3-5-12(11)15/h2-5,10,15H,6-9H2,1H3
InChIKeyHOIXBZALIAFXSB-UHFFFAOYSA-N
XLogP3.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-fluoro-1-(oxan-4-yl)ethyl]phenol?
The IUPAC name of 2-[1-fluoro-1-(oxan-4-yl)ethyl]phenol (CID 115034518) is 2-[1-fluoro-1-(oxan-4-yl)ethyl]phenol.
What is the SMILES notation for 2-[1-fluoro-1-(oxan-4-yl)ethyl]phenol?
The canonical SMILES for 2-[1-fluoro-1-(oxan-4-yl)ethyl]phenol is CC(F)(c1ccccc1O)C1CCOCC1.
What is the InChIKey of 2-[1-fluoro-1-(oxan-4-yl)ethyl]phenol?
The InChIKey is HOIXBZALIAFXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-13(14,10-6-8-16-9-7-10)11-4-2-3-5-12(11)15/h2-5,10,15H,6-9H2,1H3.
What are the key properties of 2-[1-fluoro-1-(oxan-4-yl)ethyl]phenol?
2-[1-fluoro-1-(oxan-4-yl)ethyl]phenol has a molecular weight of 224.28 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-fluoro-1-(oxan-4-yl)ethyl]phenol is sourced from PubChem (CID 115034518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).