(2R)-2-(2-fluoro-4-methoxyphenyl)azetidine;hydrochloride

C10H13ClFNO — CID 171197142

IUPAC(2R)-2-(2-fluoro-4-methoxyphenyl)azetidine;hydrochloride
SMILESCOc1ccc([C@H]2CCN2)c(F)c1.Cl
InChIInChI=1S/C10H12FNO.ClH/c1-13-7-2-3-8(9(11)6-7)10-4-5-12-10;/h2-3,6,10,12H,4-5H2,1H3;1H/t10-;/m1./s1
InChIKeyJDYDARVDAXGECY-HNCPQSOCSA-N
MW217.67 g/mol
LogP2.29
Rot. Bonds2

About (2R)-2-(2-fluoro-4-methoxyphenyl)azetidine;hydrochloride

(2R)-2-(2-fluoro-4-methoxyphenyl)azetidine;hydrochloride (PubChem CID 171197142) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is (2R)-2-(2-fluoro-4-methoxyphenyl)azetidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(2-fluoro-4-methoxyphenyl)azetidine;hydrochloride
PubChem CID171197142
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name(2R)-2-(2-fluoro-4-methoxyphenyl)azetidine;hydrochloride
SMILESCOc1ccc([C@H]2CCN2)c(F)c1.Cl
InChIInChI=1S/C10H12FNO.ClH/c1-13-7-2-3-8(9(11)6-7)10-4-5-12-10;/h2-3,6,10,12H,4-5H2,1H3;1H/t10-;/m1./s1
InChIKeyJDYDARVDAXGECY-HNCPQSOCSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-fluoro-5-methoxyphenyl)azetidine;hydrochloride
CID 171197365
(2S)-2-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 171194833
(2R)-2-(2-fluoro-4-methoxyphenyl)piperazine
CID 171194214
2-(2-bromo-4-methoxyphenyl)azetidine
CID 130534303
(2R)-2-(4-methoxy-2-methylphenyl)azetidine
CID 130623728
4-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 134691223
(3S)-3-(2-fluoro-4-methoxyphenyl)morpholine
CID 96776488
2-[(2S)-azetidin-2-yl]-4-methoxyphenol;hydrochloride
CID 171196735
2-(2,5-dimethoxyphenyl)azetidine
CID 55295985
(2R)-2-(2-iodo-5-methoxyphenyl)azetidine
CID 130626622
(4R)-4-(2-fluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 171184318
2-(4-chloro-2-fluorophenyl)azetidine
CID 55271192

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluoro-4-methoxyphenyl)azetidine;hydrochloride?
The IUPAC name of (2R)-2-(2-fluoro-4-methoxyphenyl)azetidine;hydrochloride (CID 171197142) is (2R)-2-(2-fluoro-4-methoxyphenyl)azetidine;hydrochloride.
What is the SMILES notation for (2R)-2-(2-fluoro-4-methoxyphenyl)azetidine;hydrochloride?
The canonical SMILES for (2R)-2-(2-fluoro-4-methoxyphenyl)azetidine;hydrochloride is COc1ccc([C@H]2CCN2)c(F)c1.Cl.
What is the InChIKey of (2R)-2-(2-fluoro-4-methoxyphenyl)azetidine;hydrochloride?
The InChIKey is JDYDARVDAXGECY-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H12FNO.ClH/c1-13-7-2-3-8(9(11)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-4-methoxyphenyl)azetidine;hydrochloride?
(2R)-2-(2-fluoro-4-methoxyphenyl)azetidine;hydrochloride has a molecular weight of 217.67 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluoro-4-methoxyphenyl)azetidine;hydrochloride is sourced from PubChem (CID 171197142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).