(2S)-2-(2-fluoro-3-methylphenyl)azetidine

C10H12FN — CID 131182197

IUPAC(2S)-2-(2-fluoro-3-methylphenyl)azetidine
SMILESCc1cccc([C@@H]2CCN2)c1F
InChIInChI=1S/C10H12FN/c1-7-3-2-4-8(10(7)11)9-5-6-12-9/h2-4,9,12H,5-6H2,1H3/t9-/m0/s1
InChIKeyZTIWDXLAXVMVKA-VIFPVBQESA-N
MW165.21 g/mol
LogP2.17
Rot. Bonds1

About (2S)-2-(2-fluoro-3-methylphenyl)azetidine

(2S)-2-(2-fluoro-3-methylphenyl)azetidine (PubChem CID 131182197) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is (2S)-2-(2-fluoro-3-methylphenyl)azetidine.

Molecular Properties

Compound Name(2S)-2-(2-fluoro-3-methylphenyl)azetidine
PubChem CID131182197
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name(2S)-2-(2-fluoro-3-methylphenyl)azetidine
SMILESCc1cccc([C@@H]2CCN2)c1F
InChIInChI=1S/C10H12FN/c1-7-3-2-4-8(10(7)11)9-5-6-12-9/h2-4,9,12H,5-6H2,1H3/t9-/m0/s1
InChIKeyZTIWDXLAXVMVKA-VIFPVBQESA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(2,3-dimethylphenyl)azetidine
CID 130714481
2-(2,3-difluoro-4-methylphenyl)piperidine
CID 84678474
2-[(2S)-azetidin-2-yl]-6-fluorophenol
CID 55278704
(2S)-2-(5-bromo-2-fluoro-3-methylphenyl)azetidine;hydrochloride
CID 171196789
3-[(2S)-azetidin-2-yl]benzene-1,2-diamine
CID 130891811
(2R)-2-(4-methylnaphthalen-1-yl)azetidine;hydrochloride
CID 171197351
3-(2-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octane
CID 24904373
(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196381
(2S)-2-(2-chloro-3-methylphenyl)pyrrolidine
CID 55274966
(2R)-2-(4-chloro-2-methylphenyl)azetidine
CID 130665012
(2R)-2-(2-fluoro-5-methylphenyl)azetidine;hydrochloride
CID 171197239
3-[(2S)-azetidin-2-yl]-2-fluoropyridine
CID 55278495

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluoro-3-methylphenyl)azetidine?
The IUPAC name of (2S)-2-(2-fluoro-3-methylphenyl)azetidine (CID 131182197) is (2S)-2-(2-fluoro-3-methylphenyl)azetidine.
What is the SMILES notation for (2S)-2-(2-fluoro-3-methylphenyl)azetidine?
The canonical SMILES for (2S)-2-(2-fluoro-3-methylphenyl)azetidine is Cc1cccc([C@@H]2CCN2)c1F.
What is the InChIKey of (2S)-2-(2-fluoro-3-methylphenyl)azetidine?
The InChIKey is ZTIWDXLAXVMVKA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12FN/c1-7-3-2-4-8(10(7)11)9-5-6-12-9/h2-4,9,12H,5-6H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-(2-fluoro-3-methylphenyl)azetidine?
(2S)-2-(2-fluoro-3-methylphenyl)azetidine has a molecular weight of 165.21 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluoro-3-methylphenyl)azetidine is sourced from PubChem (CID 131182197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).