(2S)-2-[3-bromo-5-(trifluoromethyl)phenyl]azetidine

C10H9BrF3N — CID 131505510

IUPAC(2S)-2-[3-bromo-5-(trifluoromethyl)phenyl]azetidine
SMILESFC(F)(F)c1cc(Br)cc([C@@H]2CCN2)c1
InChIInChI=1S/C10H9BrF3N/c11-8-4-6(9-1-2-15-9)3-7(5-8)10(12,13)14/h3-5,9,15H,1-2H2/t9-/m0/s1
InChIKeyQWHADFTZQAVPHT-VIFPVBQESA-N
MW280.09 g/mol
LogP3.50
Rot. Bonds1

About (2S)-2-[3-bromo-5-(trifluoromethyl)phenyl]azetidine

(2S)-2-[3-bromo-5-(trifluoromethyl)phenyl]azetidine (PubChem CID 131505510) has the molecular formula C10H9BrF3N and a molecular weight of 280.09 g/mol. Its IUPAC name is (2S)-2-[3-bromo-5-(trifluoromethyl)phenyl]azetidine.

Molecular Properties

Compound Name(2S)-2-[3-bromo-5-(trifluoromethyl)phenyl]azetidine
PubChem CID131505510
Molecular FormulaC10H9BrF3N
Molecular Weight280.09 g/mol
Exact Mass278.99
IUPAC Name(2S)-2-[3-bromo-5-(trifluoromethyl)phenyl]azetidine
SMILESFC(F)(F)c1cc(Br)cc([C@@H]2CCN2)c1
InChIInChI=1S/C10H9BrF3N/c11-8-4-6(9-1-2-15-9)3-7(5-8)10(12,13)14/h3-5,9,15H,1-2H2/t9-/m0/s1
InChIKeyQWHADFTZQAVPHT-VIFPVBQESA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.09
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[3-fluoro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171196840
(3S)-3-[3-bromo-5-(trifluoromethyl)phenyl]morpholine
CID 171193208
(2S)-2-(3-bromo-5-fluorophenyl)azetidine
CID 130705750
(2S)-2-[3-bromo-5-(trifluoromethoxy)phenyl]azetidine
CID 131406196
(4R)-4-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171185109
(2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197302
3-(azetidin-2-yl)-5-bromobenzonitrile
CID 130043935
3-[(2S)-azetidin-2-yl]-5-bromobenzonitrile
CID 131182246
2-[(2R)-azetidin-2-yl]-4-bromo-6-(trifluoromethyl)phenol
CID 131498458
(2S)-2-(4-bromophenyl)azetidine
CID 91980119
3-[3-bromo-5-(trifluoromethyl)phenyl]-4-chloropyrrolidine-2,5-dione
CID 106695089
(2R)-2-[3-fluoro-4-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197362

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-bromo-5-(trifluoromethyl)phenyl]azetidine?
The IUPAC name of (2S)-2-[3-bromo-5-(trifluoromethyl)phenyl]azetidine (CID 131505510) is (2S)-2-[3-bromo-5-(trifluoromethyl)phenyl]azetidine.
What is the SMILES notation for (2S)-2-[3-bromo-5-(trifluoromethyl)phenyl]azetidine?
The canonical SMILES for (2S)-2-[3-bromo-5-(trifluoromethyl)phenyl]azetidine is FC(F)(F)c1cc(Br)cc([C@@H]2CCN2)c1.
What is the InChIKey of (2S)-2-[3-bromo-5-(trifluoromethyl)phenyl]azetidine?
The InChIKey is QWHADFTZQAVPHT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H9BrF3N/c11-8-4-6(9-1-2-15-9)3-7(5-8)10(12,13)14/h3-5,9,15H,1-2H2/t9-/m0/s1.
What are the key properties of (2S)-2-[3-bromo-5-(trifluoromethyl)phenyl]azetidine?
(2S)-2-[3-bromo-5-(trifluoromethyl)phenyl]azetidine has a molecular weight of 280.09 g/mol, XLogP of 3.50, 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-(trifluoromethyl)phenyl]azetidine is sourced from PubChem (CID 131505510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).