3-phenylazetidin-3-ol;2,2,2-trifluoroacetic acid

C11H12F3NO3 — CID 66988147

IUPAC3-phenylazetidin-3-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC1(c2ccccc2)CNC1
InChIInChI=1S/C9H11NO.C2HF3O2/c11-9(6-10-7-9)8-4-2-1-3-5-8;3-2(4,5)1(6)7/h1-5,10-11H,6-7H2;(H,6,7)
InChIKeyRIYUWUOCUQVEPN-UHFFFAOYSA-N
MW263.21 g/mol
LogP1.11
Rot. Bonds1

About 3-phenylazetidin-3-ol;2,2,2-trifluoroacetic acid

3-phenylazetidin-3-ol;2,2,2-trifluoroacetic acid (PubChem CID 66988147) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 3-phenylazetidin-3-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-phenylazetidin-3-ol;2,2,2-trifluoroacetic acid
PubChem CID66988147
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name3-phenylazetidin-3-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC1(c2ccccc2)CNC1
InChIInChI=1S/C9H11NO.C2HF3O2/c11-9(6-10-7-9)8-4-2-1-3-5-8;3-2(4,5)1(6)7/h1-5,10-11H,6-7H2;(H,6,7)
InChIKeyRIYUWUOCUQVEPN-UHFFFAOYSA-N
XLogP1.11
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(4-Fluorophenyl)azetidin-3-ol hydrochloride
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3-(4-Chlorophenyl)azetidin-3-ol; trifluoroacetic acid
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N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclobutanecarboxamide
CID 56764194
3-(2-Methylphenyl)azetidin-3-ol
CID 65920471
3-(2,3-Difluorophenyl)-1-propyl-azetidin-3-ol
CID 46207878
3-(3,4-Difluorophenyl)-1-propylazetidin-3-ol
CID 46207879
3-(3,5-Difluorophenyl)-1-propylazetidin-3-ol
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CID 46207884

Frequently Asked Questions

What is the IUPAC name of 3-phenylazetidin-3-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-phenylazetidin-3-ol;2,2,2-trifluoroacetic acid (CID 66988147) is 3-phenylazetidin-3-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-phenylazetidin-3-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-phenylazetidin-3-ol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OC1(c2ccccc2)CNC1.
What is the InChIKey of 3-phenylazetidin-3-ol;2,2,2-trifluoroacetic acid?
The InChIKey is RIYUWUOCUQVEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C2HF3O2/c11-9(6-10-7-9)8-4-2-1-3-5-8;3-2(4,5)1(6)7/h1-5,10-11H,6-7H2;(H,6,7).
What are the key properties of 3-phenylazetidin-3-ol;2,2,2-trifluoroacetic acid?
3-phenylazetidin-3-ol;2,2,2-trifluoroacetic acid has a molecular weight of 263.21 g/mol, XLogP of 1.11, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylazetidin-3-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66988147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).