3-(4-bromo-2-fluorophenyl)oxetan-3-amine

C9H9BrFNO — CID 155977887

IUPAC3-(4-bromo-2-fluorophenyl)oxetan-3-amine
SMILESNC1(c2ccc(Br)cc2F)COC1
InChIInChI=1S/C9H9BrFNO/c10-6-1-2-7(8(11)3-6)9(12)4-13-5-9/h1-3H,4-5,12H2
InChIKeyIPCMKPFXGGZSSB-UHFFFAOYSA-N
MW246.08 g/mol
LogP1.77
Rot. Bonds1

About 3-(4-bromo-2-fluorophenyl)oxetan-3-amine

3-(4-bromo-2-fluorophenyl)oxetan-3-amine (PubChem CID 155977887) has the molecular formula C9H9BrFNO and a molecular weight of 246.08 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenyl)oxetan-3-amine.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenyl)oxetan-3-amine
PubChem CID155977887
Molecular FormulaC9H9BrFNO
Molecular Weight246.08 g/mol
Exact Mass244.99
IUPAC Name3-(4-bromo-2-fluorophenyl)oxetan-3-amine
SMILESNC1(c2ccc(Br)cc2F)COC1
InChIInChI=1S/C9H9BrFNO/c10-6-1-2-7(8(11)3-6)9(12)4-13-5-9/h1-3H,4-5,12H2
InChIKeyIPCMKPFXGGZSSB-UHFFFAOYSA-N
XLogP1.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine
CID 83412154
3-(5-bromo-2-chlorophenyl)oxetan-3-amine
CID 134828100
3-(4-bromo-2-nitrophenyl)oxetan-3-amine
CID 131359705
3-(5-bromo-2-fluorophenyl)-3-chlorooxetane
CID 116876552
[1-(4-bromo-2-fluorophenyl)cyclopropyl]methanamine;hydrochloride
CID 75537413
1-(4-bromo-2-fluorophenyl)cyclopropane-1-carbonitrile
CID 58762329
3-(3,4-difluorophenyl)oxetan-3-amine;hydrochloride
CID 137319852
ethyl 2-[4-(3-aminooxetan-3-yl)-3-fluorophenyl]-2-methylpropanoate
CID 130418033
3-[3-(5-bromo-2-fluorophenyl)oxetan-3-yl]butan-1-amine
CID 116870231
5-(4-bromo-2-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine
CID 82973819
4-bromo-1,2-difluorobenzene;dihydrofluoride
CID 174492303
4-(1-aminocyclobutyl)-3-fluoroaniline
CID 83412510

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenyl)oxetan-3-amine?
The IUPAC name of 3-(4-bromo-2-fluorophenyl)oxetan-3-amine (CID 155977887) is 3-(4-bromo-2-fluorophenyl)oxetan-3-amine.
What is the SMILES notation for 3-(4-bromo-2-fluorophenyl)oxetan-3-amine?
The canonical SMILES for 3-(4-bromo-2-fluorophenyl)oxetan-3-amine is NC1(c2ccc(Br)cc2F)COC1.
What is the InChIKey of 3-(4-bromo-2-fluorophenyl)oxetan-3-amine?
The InChIKey is IPCMKPFXGGZSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO/c10-6-1-2-7(8(11)3-6)9(12)4-13-5-9/h1-3H,4-5,12H2.
What are the key properties of 3-(4-bromo-2-fluorophenyl)oxetan-3-amine?
3-(4-bromo-2-fluorophenyl)oxetan-3-amine has a molecular weight of 246.08 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorophenyl)oxetan-3-amine is sourced from PubChem (CID 155977887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).