1-(4-fluoro-2-nitrophenyl)azetidin-3-amine

C9H10FN3O2 — CID 65249693

IUPAC1-(4-fluoro-2-nitrophenyl)azetidin-3-amine
SMILESNC1CN(c2ccc(F)cc2[N+](=O)[O-])C1
InChIInChI=1S/C9H10FN3O2/c10-6-1-2-8(9(3-6)13(14)15)12-4-7(11)5-12/h1-3,7H,4-5,11H2
InChIKeyBMGYIJPBEDNNAP-UHFFFAOYSA-N
MW211.20 g/mol
LogP0.88
Rot. Bonds2

About 1-(4-fluoro-2-nitrophenyl)azetidin-3-amine

1-(4-fluoro-2-nitrophenyl)azetidin-3-amine (PubChem CID 65249693) has the molecular formula C9H10FN3O2 and a molecular weight of 211.20 g/mol. Its IUPAC name is 1-(4-fluoro-2-nitrophenyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-nitrophenyl)azetidin-3-amine
PubChem CID65249693
Molecular FormulaC9H10FN3O2
Molecular Weight211.20 g/mol
Exact Mass211.08
IUPAC Name1-(4-fluoro-2-nitrophenyl)azetidin-3-amine
SMILESNC1CN(c2ccc(F)cc2[N+](=O)[O-])C1
InChIInChI=1S/C9H10FN3O2/c10-6-1-2-8(9(3-6)13(14)15)12-4-7(11)5-12/h1-3,7H,4-5,11H2
InChIKeyBMGYIJPBEDNNAP-UHFFFAOYSA-N
XLogP0.88
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluoro-2-nitrophenyl)-5-methylpiperidin-3-amine
CID 79994407
1-(4-bromo-2-nitrophenyl)azetidin-3-amine
CID 65250097
1-(4-fluoro-2-nitrophenyl)piperazine
CID 2737435
4-(4-fluoro-2-nitrophenyl)thiomorpholine
CID 52679103
[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]methanesulfonamide
CID 56805189
[1-(4-fluoro-2-nitrophenyl)piperidin-3-yl]methanesulfonamide
CID 56805196
1-(4-fluoro-2-nitrophenyl)piperidine-4-carbaldehyde
CID 62662917
N-cyclopropyl-1-(4-fluoro-2-nitrophenyl)piperidin-4-amine
CID 133381166
4-(3-aminoazetidin-1-yl)-N,N-dimethyl-3-nitrobenzamide
CID 82992525
1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
CID 62067743
1-(azetidin-3-yl)-4-(4-fluoro-2-nitrophenyl)piperazine
CID 66203741
4-(4-fluoro-2-nitrophenyl)morpholine-2-carbonitrile
CID 78946425

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-nitrophenyl)azetidin-3-amine?
The IUPAC name of 1-(4-fluoro-2-nitrophenyl)azetidin-3-amine (CID 65249693) is 1-(4-fluoro-2-nitrophenyl)azetidin-3-amine.
What is the SMILES notation for 1-(4-fluoro-2-nitrophenyl)azetidin-3-amine?
The canonical SMILES for 1-(4-fluoro-2-nitrophenyl)azetidin-3-amine is NC1CN(c2ccc(F)cc2[N+](=O)[O-])C1.
What is the InChIKey of 1-(4-fluoro-2-nitrophenyl)azetidin-3-amine?
The InChIKey is BMGYIJPBEDNNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O2/c10-6-1-2-8(9(3-6)13(14)15)12-4-7(11)5-12/h1-3,7H,4-5,11H2.
What are the key properties of 1-(4-fluoro-2-nitrophenyl)azetidin-3-amine?
1-(4-fluoro-2-nitrophenyl)azetidin-3-amine has a molecular weight of 211.20 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-nitrophenyl)azetidin-3-amine is sourced from PubChem (CID 65249693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).