1-[3-(fluoromethyl)azetidin-1-yl]-2-phenylmethoxyethanone

C13H16FNO2 — CID 121189019

IUPAC1-[3-(fluoromethyl)azetidin-1-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CC(CF)C1
InChIInChI=1S/C13H16FNO2/c14-6-12-7-15(8-12)13(16)10-17-9-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyCKRPWDICEOPTFE-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.63
Rot. Bonds5

About 1-[3-(fluoromethyl)azetidin-1-yl]-2-phenylmethoxyethanone

1-[3-(fluoromethyl)azetidin-1-yl]-2-phenylmethoxyethanone (PubChem CID 121189019) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-[3-(fluoromethyl)azetidin-1-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[3-(fluoromethyl)azetidin-1-yl]-2-phenylmethoxyethanone
PubChem CID121189019
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name1-[3-(fluoromethyl)azetidin-1-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CC(CF)C1
InChIInChI=1S/C13H16FNO2/c14-6-12-7-15(8-12)13(16)10-17-9-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyCKRPWDICEOPTFE-UHFFFAOYSA-N
XLogP1.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(fluoromethyl)azetidin-1-yl]-2-phenylmethoxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(fluoromethyl)azetidin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[3-(fluoromethyl)azetidin-1-yl]-2-phenylmethoxyethanone (CID 121189019) is 1-[3-(fluoromethyl)azetidin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[3-(fluoromethyl)azetidin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[3-(fluoromethyl)azetidin-1-yl]-2-phenylmethoxyethanone is O=C(COCc1ccccc1)N1CC(CF)C1.
What is the InChIKey of 1-[3-(fluoromethyl)azetidin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is CKRPWDICEOPTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-6-12-7-15(8-12)13(16)10-17-9-11-4-2-1-3-5-11/h1-5,12H,6-10H2.
What are the key properties of 1-[3-(fluoromethyl)azetidin-1-yl]-2-phenylmethoxyethanone?
1-[3-(fluoromethyl)azetidin-1-yl]-2-phenylmethoxyethanone has a molecular weight of 237.27 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(fluoromethyl)azetidin-1-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 121189019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).