(2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]azetidine;hydrochloride

C10H10Cl2F3NO — CID 171197328

IUPAC(2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]azetidine;hydrochloride
SMILESCl.FC(F)(F)Oc1ccc([C@H]2CCN2)cc1Cl
InChIInChI=1S/C10H9ClF3NO.ClH/c11-7-5-6(8-3-4-15-8)1-2-9(7)16-10(12,13)14;/h1-2,5,8,15H,3-4H2;1H/t8-;/m1./s1
InChIKeySTJCQDVTZZBNRG-DDWIOCJRSA-N
MW288.10 g/mol
LogP3.69
Rot. Bonds2

About (2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]azetidine;hydrochloride

(2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]azetidine;hydrochloride (PubChem CID 171197328) has the molecular formula C10H10Cl2F3NO and a molecular weight of 288.10 g/mol. Its IUPAC name is (2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]azetidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]azetidine;hydrochloride
PubChem CID171197328
Molecular FormulaC10H10Cl2F3NO
Molecular Weight288.10 g/mol
Exact Mass287.01
IUPAC Name(2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]azetidine;hydrochloride
SMILESCl.FC(F)(F)Oc1ccc([C@H]2CCN2)cc1Cl
InChIInChI=1S/C10H9ClF3NO.ClH/c11-7-5-6(8-3-4-15-8)1-2-9(7)16-10(12,13)14;/h1-2,5,8,15H,3-4H2;1H/t8-;/m1./s1
InChIKeySTJCQDVTZZBNRG-DDWIOCJRSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride
CID 171195984
(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
CID 171195028
(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine
CID 171196390
(2R)-2-(3-chloro-4-methylphenyl)azetidine;hydrochloride
CID 171197250
(2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196154
(2R)-2-[3-fluoro-4-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197362
2-[3-methoxy-4-(trifluoromethyl)phenyl]azetidine
CID 130043562
2-(3-chloro-4-ethoxyphenyl)aziridine
CID 82469286
(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171242411
(2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197302
(2R)-2-(4-methoxy-3-methylphenyl)azetidine
CID 130665442
(2S)-2-[3-bromo-5-(trifluoromethoxy)phenyl]azetidine
CID 131406196

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]azetidine;hydrochloride?
The IUPAC name of (2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]azetidine;hydrochloride (CID 171197328) is (2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]azetidine;hydrochloride.
What is the SMILES notation for (2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]azetidine;hydrochloride?
The canonical SMILES for (2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]azetidine;hydrochloride is Cl.FC(F)(F)Oc1ccc([C@H]2CCN2)cc1Cl.
What is the InChIKey of (2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]azetidine;hydrochloride?
The InChIKey is STJCQDVTZZBNRG-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H9ClF3NO.ClH/c11-7-5-6(8-3-4-15-8)1-2-9(7)16-10(12,13)14;/h1-2,5,8,15H,3-4H2;1H/t8-;/m1./s1.
What are the key properties of (2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]azetidine;hydrochloride?
(2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]azetidine;hydrochloride has a molecular weight of 288.10 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]azetidine;hydrochloride is sourced from PubChem (CID 171197328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).