[2-(azetidin-1-ylmethyl)phenyl]-(3-fluorophenyl)methanone

C17H16FNO — CID 24725309

IUPAC[2-(azetidin-1-ylmethyl)phenyl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)c1ccccc1CN1CCC1
InChIInChI=1S/C17H16FNO/c18-15-7-3-6-13(11-15)17(20)16-8-2-1-5-14(16)12-19-9-4-10-19/h1-3,5-8,11H,4,9-10,12H2
InChIKeyFDVQMVKDIMUHGY-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.26
Rot. Bonds4

About [2-(azetidin-1-ylmethyl)phenyl]-(3-fluorophenyl)methanone

[2-(azetidin-1-ylmethyl)phenyl]-(3-fluorophenyl)methanone (PubChem CID 24725309) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is [2-(azetidin-1-ylmethyl)phenyl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(azetidin-1-ylmethyl)phenyl]-(3-fluorophenyl)methanone
PubChem CID24725309
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name[2-(azetidin-1-ylmethyl)phenyl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)c1ccccc1CN1CCC1
InChIInChI=1S/C17H16FNO/c18-15-7-3-6-13(11-15)17(20)16-8-2-1-5-14(16)12-19-9-4-10-19/h1-3,5-8,11H,4,9-10,12H2
InChIKeyFDVQMVKDIMUHGY-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24725290
(3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24725235
(3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725221
(3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725191
(4-bromo-3-fluorophenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24725260
[2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone
CID 24725316
[2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone
CID 24725308
(3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725201
2-[2-(azetidin-1-ylmethyl)benzoyl]benzonitrile
CID 24725297
[2-(azetidin-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone
CID 24725303
(3-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 116613286
[2-(azetidin-1-ylmethyl)phenyl]-(2,4-dichlorophenyl)methanone
CID 24725330

Frequently Asked Questions

What is the IUPAC name of [2-(azetidin-1-ylmethyl)phenyl]-(3-fluorophenyl)methanone?
The IUPAC name of [2-(azetidin-1-ylmethyl)phenyl]-(3-fluorophenyl)methanone (CID 24725309) is [2-(azetidin-1-ylmethyl)phenyl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [2-(azetidin-1-ylmethyl)phenyl]-(3-fluorophenyl)methanone?
The canonical SMILES for [2-(azetidin-1-ylmethyl)phenyl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)c1ccccc1CN1CCC1.
What is the InChIKey of [2-(azetidin-1-ylmethyl)phenyl]-(3-fluorophenyl)methanone?
The InChIKey is FDVQMVKDIMUHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c18-15-7-3-6-13(11-15)17(20)16-8-2-1-5-14(16)12-19-9-4-10-19/h1-3,5-8,11H,4,9-10,12H2.
What are the key properties of [2-(azetidin-1-ylmethyl)phenyl]-(3-fluorophenyl)methanone?
[2-(azetidin-1-ylmethyl)phenyl]-(3-fluorophenyl)methanone has a molecular weight of 269.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azetidin-1-ylmethyl)phenyl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 24725309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).