(2R)-2-(2-fluoro-5-methylphenyl)azetidine;hydrochloride

C10H13ClFN — CID 171197239

IUPAC(2R)-2-(2-fluoro-5-methylphenyl)azetidine;hydrochloride
SMILESCc1ccc(F)c([C@H]2CCN2)c1.Cl
InChIInChI=1S/C10H12FN.ClH/c1-7-2-3-9(11)8(6-7)10-4-5-12-10;/h2-3,6,10,12H,4-5H2,1H3;1H/t10-;/m1./s1
InChIKeyUTTAGQIZXXNKTQ-HNCPQSOCSA-N
MW201.67 g/mol
LogP2.59
Rot. Bonds1

About (2R)-2-(2-fluoro-5-methylphenyl)azetidine;hydrochloride

(2R)-2-(2-fluoro-5-methylphenyl)azetidine;hydrochloride (PubChem CID 171197239) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is (2R)-2-(2-fluoro-5-methylphenyl)azetidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(2-fluoro-5-methylphenyl)azetidine;hydrochloride
PubChem CID171197239
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name(2R)-2-(2-fluoro-5-methylphenyl)azetidine;hydrochloride
SMILESCc1ccc(F)c([C@H]2CCN2)c1.Cl
InChIInChI=1S/C10H12FN.ClH/c1-7-2-3-9(11)8(6-7)10-4-5-12-10;/h2-3,6,10,12H,4-5H2,1H3;1H/t10-;/m1./s1
InChIKeyUTTAGQIZXXNKTQ-HNCPQSOCSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(2-fluoro-5-methylphenyl)pyrrolidine;hydrochloride
CID 66518747
(2S)-2-(2,5-difluorophenyl)azetidine
CID 55278103
(2R)-2-(2-fluoro-5-methoxyphenyl)azetidine;hydrochloride
CID 171197365
(2R)-2-(2-fluoro-4-methylphenyl)pyrrolidine;hydrochloride
CID 171195863
(2R)-2-(2-chloro-4-methylphenyl)azetidine
CID 130738844
2-(4-chloro-2-fluorophenyl)azetidine
CID 55271192
(2S)-2-(2-fluoro-5-nitrophenyl)azetidine;hydrochloride
CID 171196811
4-(2-fluoro-5-methylphenyl)azepane
CID 83262245
(2R)-2-(4-chloro-2-methylphenyl)azetidine
CID 130665012
2-(2-chlorocyclopentyl)-1-fluoro-4-methylbenzene
CID 62801942
2-(2-bromocyclopentyl)-1-fluoro-4-methylbenzene
CID 62800460
tert-butyl N-[(2S,4R)-2-(2-fluoro-5-methylphenyl)piperidin-4-yl]carbamate
CID 176681990

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluoro-5-methylphenyl)azetidine;hydrochloride?
The IUPAC name of (2R)-2-(2-fluoro-5-methylphenyl)azetidine;hydrochloride (CID 171197239) is (2R)-2-(2-fluoro-5-methylphenyl)azetidine;hydrochloride.
What is the SMILES notation for (2R)-2-(2-fluoro-5-methylphenyl)azetidine;hydrochloride?
The canonical SMILES for (2R)-2-(2-fluoro-5-methylphenyl)azetidine;hydrochloride is Cc1ccc(F)c([C@H]2CCN2)c1.Cl.
What is the InChIKey of (2R)-2-(2-fluoro-5-methylphenyl)azetidine;hydrochloride?
The InChIKey is UTTAGQIZXXNKTQ-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H12FN.ClH/c1-7-2-3-9(11)8(6-7)10-4-5-12-10;/h2-3,6,10,12H,4-5H2,1H3;1H/t10-;/m1./s1.
What are the key properties of (2R)-2-(2-fluoro-5-methylphenyl)azetidine;hydrochloride?
(2R)-2-(2-fluoro-5-methylphenyl)azetidine;hydrochloride has a molecular weight of 201.67 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluoro-5-methylphenyl)azetidine;hydrochloride is sourced from PubChem (CID 171197239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).