3-fluoro-3-[(4-fluorophenyl)methyl]azetidine

C10H11F2N — CID 112563497

IUPAC3-fluoro-3-[(4-fluorophenyl)methyl]azetidine
SMILESFc1ccc(CC2(F)CNC2)cc1
InChIInChI=1S/C10H11F2N/c11-9-3-1-8(2-4-9)5-10(12)6-13-7-10/h1-4,13H,5-7H2
InChIKeyUKNXEEOUQCNKJY-UHFFFAOYSA-N
MW183.20 g/mol
LogP1.68
Rot. Bonds2

About 3-fluoro-3-[(4-fluorophenyl)methyl]azetidine

3-fluoro-3-[(4-fluorophenyl)methyl]azetidine (PubChem CID 112563497) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is 3-fluoro-3-[(4-fluorophenyl)methyl]azetidine.

Molecular Properties

Compound Name3-fluoro-3-[(4-fluorophenyl)methyl]azetidine
PubChem CID112563497
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name3-fluoro-3-[(4-fluorophenyl)methyl]azetidine
SMILESFc1ccc(CC2(F)CNC2)cc1
InChIInChI=1S/C10H11F2N/c11-9-3-1-8(2-4-9)5-10(12)6-13-7-10/h1-4,13H,5-7H2
InChIKeyUKNXEEOUQCNKJY-UHFFFAOYSA-N
XLogP1.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-4-[(1-fluorocyclopentyl)methyl]benzene
CID 84720734
3-[(2-bromo-5-fluorophenyl)methyl]-3-fluoroazetidine
CID 112563367
[4-[(3-fluoropyrrolidin-3-yl)methyl]phenyl]methanamine
CID 105461999
3-[(4-chlorophenyl)methyl]-3-fluoropyrrolidine
CID 83821387
3-[(3-fluoroazetidin-3-yl)methyl]pyridine
CID 104737448
3-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]azetidine
CID 79451271
3-(4-fluorophenyl)-3-[(4-iodophenyl)methyl]azetidine
CID 79460170
4-[(3-fluoropiperidin-3-yl)methyl]phenol
CID 112562864
3-[(5-bromo-2-fluorophenyl)methyl]-3-fluoroazetidine
CID 112563405
3-(3-bromophenyl)-3-[(4-fluorophenyl)methyl]azetidine
CID 79461032
4-fluoro-4-[(4-iodophenyl)methyl]piperidine
CID 112563230
1-[(4-fluorophenyl)methyl]cyclobutan-1-amine;hydrochloride
CID 86277096

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[(4-fluorophenyl)methyl]azetidine?
The IUPAC name of 3-fluoro-3-[(4-fluorophenyl)methyl]azetidine (CID 112563497) is 3-fluoro-3-[(4-fluorophenyl)methyl]azetidine.
What is the SMILES notation for 3-fluoro-3-[(4-fluorophenyl)methyl]azetidine?
The canonical SMILES for 3-fluoro-3-[(4-fluorophenyl)methyl]azetidine is Fc1ccc(CC2(F)CNC2)cc1.
What is the InChIKey of 3-fluoro-3-[(4-fluorophenyl)methyl]azetidine?
The InChIKey is UKNXEEOUQCNKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N/c11-9-3-1-8(2-4-9)5-10(12)6-13-7-10/h1-4,13H,5-7H2.
What are the key properties of 3-fluoro-3-[(4-fluorophenyl)methyl]azetidine?
3-fluoro-3-[(4-fluorophenyl)methyl]azetidine has a molecular weight of 183.20 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[(4-fluorophenyl)methyl]azetidine is sourced from PubChem (CID 112563497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).