(2S)-2-(3-bromo-5-fluorophenyl)azetidine

C9H9BrFN — CID 130705750

IUPAC(2S)-2-(3-bromo-5-fluorophenyl)azetidine
SMILESFc1cc(Br)cc([C@@H]2CCN2)c1
InChIInChI=1S/C9H9BrFN/c10-7-3-6(4-8(11)5-7)9-1-2-12-9/h3-5,9,12H,1-2H2/t9-/m0/s1
InChIKeyKEIOWHWEIMYQQO-VIFPVBQESA-N
MW230.08 g/mol
LogP2.62
Rot. Bonds1

About (2S)-2-(3-bromo-5-fluorophenyl)azetidine

(2S)-2-(3-bromo-5-fluorophenyl)azetidine (PubChem CID 130705750) has the molecular formula C9H9BrFN and a molecular weight of 230.08 g/mol. Its IUPAC name is (2S)-2-(3-bromo-5-fluorophenyl)azetidine.

Molecular Properties

Compound Name(2S)-2-(3-bromo-5-fluorophenyl)azetidine
PubChem CID130705750
Molecular FormulaC9H9BrFN
Molecular Weight230.08 g/mol
Exact Mass228.99
IUPAC Name(2S)-2-(3-bromo-5-fluorophenyl)azetidine
SMILESFc1cc(Br)cc([C@@H]2CCN2)c1
InChIInChI=1S/C9H9BrFN/c10-7-3-6(4-8(11)5-7)9-1-2-12-9/h3-5,9,12H,1-2H2/t9-/m0/s1
InChIKeyKEIOWHWEIMYQQO-VIFPVBQESA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.08
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[3-bromo-5-(trifluoromethyl)phenyl]azetidine
CID 131505510
(3S)-3-(3-bromo-5-fluorophenyl)morpholine
CID 130605575
3-(azetidin-2-yl)-5-bromobenzonitrile
CID 130043935
3-[(2S)-azetidin-2-yl]-5-bromobenzonitrile
CID 131182246
(2S)-2-[3-fluoro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171196840
(2S)-2-[3-bromo-5-(trifluoromethoxy)phenyl]azetidine
CID 131406196
2-(4-fluorophenyl)azetidine;hydrochloride
CID 155891542
(2S)-2-(4-bromophenyl)azetidine
CID 91980119
3-fluoro-5-[(2R)-pyrrolidin-2-yl]aniline
CID 130614762
2-(3-fluoro-5-methylphenyl)piperidine
CID 55297533
2-[(2R)-azetidin-2-yl]-6-bromo-4-fluorophenol
CID 130983518
(2S)-2-(3-chloro-5-fluorophenyl)pyrrolidine
CID 66518568

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromo-5-fluorophenyl)azetidine?
The IUPAC name of (2S)-2-(3-bromo-5-fluorophenyl)azetidine (CID 130705750) is (2S)-2-(3-bromo-5-fluorophenyl)azetidine.
What is the SMILES notation for (2S)-2-(3-bromo-5-fluorophenyl)azetidine?
The canonical SMILES for (2S)-2-(3-bromo-5-fluorophenyl)azetidine is Fc1cc(Br)cc([C@@H]2CCN2)c1.
What is the InChIKey of (2S)-2-(3-bromo-5-fluorophenyl)azetidine?
The InChIKey is KEIOWHWEIMYQQO-VIFPVBQESA-N. The full InChI is InChI=1S/C9H9BrFN/c10-7-3-6(4-8(11)5-7)9-1-2-12-9/h3-5,9,12H,1-2H2/t9-/m0/s1.
What are the key properties of (2S)-2-(3-bromo-5-fluorophenyl)azetidine?
(2S)-2-(3-bromo-5-fluorophenyl)azetidine has a molecular weight of 230.08 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-bromo-5-fluorophenyl)azetidine is sourced from PubChem (CID 130705750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).