4-[1-(azetidin-2-yl)-1-fluoroethyl]phenol

C11H14FNO — CID 105449092

IUPAC4-[1-(azetidin-2-yl)-1-fluoroethyl]phenol
SMILESCC(F)(c1ccc(O)cc1)C1CCN1
InChIInChI=1S/C11H14FNO/c1-11(12,10-6-7-13-10)8-2-4-9(14)5-3-8/h2-5,10,13-14H,6-7H2,1H3
InChIKeyDFAAFYKRFNYJRR-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.94
Rot. Bonds2

About 4-[1-(azetidin-2-yl)-1-fluoroethyl]phenol

4-[1-(azetidin-2-yl)-1-fluoroethyl]phenol (PubChem CID 105449092) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-[1-(azetidin-2-yl)-1-fluoroethyl]phenol.

Molecular Properties

Compound Name4-[1-(azetidin-2-yl)-1-fluoroethyl]phenol
PubChem CID105449092
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name4-[1-(azetidin-2-yl)-1-fluoroethyl]phenol
SMILESCC(F)(c1ccc(O)cc1)C1CCN1
InChIInChI=1S/C11H14FNO/c1-11(12,10-6-7-13-10)8-2-4-9(14)5-3-8/h2-5,10,13-14H,6-7H2,1H3
InChIKeyDFAAFYKRFNYJRR-UHFFFAOYSA-N
XLogP1.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-bromophenyl)-1-fluoroethyl]pyrrolidine
CID 84730136
4-(1-hydroxy-1-piperidin-2-ylethyl)phenol
CID 83075523
4-[1-(1,1-dioxothiolan-3-yl)-1-fluoroethyl]phenol
CID 115048228
4-(2-fluoro-1-pyrrolidin-3-ylpropan-2-yl)phenol
CID 105480756
2-[1-fluoro-1-(3-methylphenyl)ethyl]pyrrolidine
CID 84722501
2-(2-fluoropropan-2-yl)azetidine
CID 105427113
4-[2-(piperidin-2-ylmethylamino)propan-2-yl]phenol
CID 135191521
4-(2-fluoro-1-piperidin-3-ylpropan-2-yl)phenol
CID 105499355
2-[difluoro(phenyl)methyl]azetidine
CID 105440437
bis(4-tert-butylphenol);zirconium
CID 87864994
4-[1,1,2,2-tetrafluoro-2-(4-hydroxyphenyl)ethyl]phenol
CID 11369659
4-tert-butylphenol;cobalt
CID 174380967

Frequently Asked Questions

What is the IUPAC name of 4-[1-(azetidin-2-yl)-1-fluoroethyl]phenol?
The IUPAC name of 4-[1-(azetidin-2-yl)-1-fluoroethyl]phenol (CID 105449092) is 4-[1-(azetidin-2-yl)-1-fluoroethyl]phenol.
What is the SMILES notation for 4-[1-(azetidin-2-yl)-1-fluoroethyl]phenol?
The canonical SMILES for 4-[1-(azetidin-2-yl)-1-fluoroethyl]phenol is CC(F)(c1ccc(O)cc1)C1CCN1.
What is the InChIKey of 4-[1-(azetidin-2-yl)-1-fluoroethyl]phenol?
The InChIKey is DFAAFYKRFNYJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-11(12,10-6-7-13-10)8-2-4-9(14)5-3-8/h2-5,10,13-14H,6-7H2,1H3.
What are the key properties of 4-[1-(azetidin-2-yl)-1-fluoroethyl]phenol?
4-[1-(azetidin-2-yl)-1-fluoroethyl]phenol has a molecular weight of 195.24 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(azetidin-2-yl)-1-fluoroethyl]phenol is sourced from PubChem (CID 105449092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).