3-amino-1-(2,3,5,6-tetrafluorophenyl)azetidin-2-one

C9H6F4N2O — CID 107647388

IUPAC3-amino-1-(2,3,5,6-tetrafluorophenyl)azetidin-2-one
SMILESNC1CN(c2c(F)c(F)cc(F)c2F)C1=O
InChIInChI=1S/C9H6F4N2O/c10-3-1-4(11)7(13)8(6(3)12)15-2-5(14)9(15)16/h1,5H,2,14H2
InChIKeyHNQZZUIOZJBKAY-UHFFFAOYSA-N
MW234.15 g/mol
LogP0.92
Rot. Bonds1

About 3-amino-1-(2,3,5,6-tetrafluorophenyl)azetidin-2-one

3-amino-1-(2,3,5,6-tetrafluorophenyl)azetidin-2-one (PubChem CID 107647388) has the molecular formula C9H6F4N2O and a molecular weight of 234.15 g/mol. Its IUPAC name is 3-amino-1-(2,3,5,6-tetrafluorophenyl)azetidin-2-one.

Molecular Properties

Compound Name3-amino-1-(2,3,5,6-tetrafluorophenyl)azetidin-2-one
PubChem CID107647388
Molecular FormulaC9H6F4N2O
Molecular Weight234.15 g/mol
Exact Mass234.04
IUPAC Name3-amino-1-(2,3,5,6-tetrafluorophenyl)azetidin-2-one
SMILESNC1CN(c2c(F)c(F)cc(F)c2F)C1=O
InChIInChI=1S/C9H6F4N2O/c10-3-1-4(11)7(13)8(6(3)12)15-2-5(14)9(15)16/h1,5H,2,14H2
InChIKeyHNQZZUIOZJBKAY-UHFFFAOYSA-N
XLogP0.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.15
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-(2,5-difluoro-4-methylphenyl)azetidin-2-one
CID 103587951
4-sulfanyl-1-(2,3,5,6-tetrafluorophenyl)pyrrolidin-2-one
CID 168709690
3-amino-1-(3-chloro-5-fluorophenyl)azetidin-2-one
CID 107371241
3,3-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine-2,5-dione
CID 107646468
(3R)-3-amino-1-(4-bromophenyl)azetidin-2-one
CID 124678513
3-amino-1-(3-iodo-4-methylphenyl)azetidin-2-one
CID 130498345
2-(2,3,5,6-tetrafluorophenyl)isoindole-1,3-dione
CID 168516039
(3R)-1-(3,4,5-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962846
3-amino-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one
CID 107579725
3-amino-1-(2,6-dichloro-4-fluorophenyl)piperidin-2-one
CID 83081282
3,4-difluoro-5-(3-methylpyrrolidin-1-yl)sulfonylaniline
CID 65020777
1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 65020834

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,3,5,6-tetrafluorophenyl)azetidin-2-one?
The IUPAC name of 3-amino-1-(2,3,5,6-tetrafluorophenyl)azetidin-2-one (CID 107647388) is 3-amino-1-(2,3,5,6-tetrafluorophenyl)azetidin-2-one.
What is the SMILES notation for 3-amino-1-(2,3,5,6-tetrafluorophenyl)azetidin-2-one?
The canonical SMILES for 3-amino-1-(2,3,5,6-tetrafluorophenyl)azetidin-2-one is NC1CN(c2c(F)c(F)cc(F)c2F)C1=O.
What is the InChIKey of 3-amino-1-(2,3,5,6-tetrafluorophenyl)azetidin-2-one?
The InChIKey is HNQZZUIOZJBKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4N2O/c10-3-1-4(11)7(13)8(6(3)12)15-2-5(14)9(15)16/h1,5H,2,14H2.
What are the key properties of 3-amino-1-(2,3,5,6-tetrafluorophenyl)azetidin-2-one?
3-amino-1-(2,3,5,6-tetrafluorophenyl)azetidin-2-one has a molecular weight of 234.15 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,3,5,6-tetrafluorophenyl)azetidin-2-one is sourced from PubChem (CID 107647388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).