(2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride

C10H11ClF3N — CID 171197302

IUPAC(2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride
SMILESCl.FC(F)(F)c1cccc([C@H]2CCN2)c1
InChIInChI=1S/C10H10F3N.ClH/c11-10(12,13)8-3-1-2-7(6-8)9-4-5-14-9;/h1-3,6,9,14H,4-5H2;1H/t9-;/m1./s1
InChIKeyCNZBKBSXFLAUQR-SBSPUUFOSA-N
MW237.65 g/mol
LogP3.16
Rot. Bonds1

About (2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride

(2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride (PubChem CID 171197302) has the molecular formula C10H11ClF3N and a molecular weight of 237.65 g/mol. Its IUPAC name is (2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride
PubChem CID171197302
Molecular FormulaC10H11ClF3N
Molecular Weight237.65 g/mol
Exact Mass237.05
IUPAC Name(2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride
SMILESCl.FC(F)(F)c1cccc([C@H]2CCN2)c1
InChIInChI=1S/C10H10F3N.ClH/c11-10(12,13)8-3-1-2-7(6-8)9-4-5-14-9;/h1-3,6,9,14H,4-5H2;1H/t9-;/m1./s1
InChIKeyCNZBKBSXFLAUQR-SBSPUUFOSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-(trifluoromethyl)phenyl]pyrazolidine
CID 105469483
2-[3-(trifluoromethyl)phenyl]piperidin-4-amine
CID 117000351
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CID 171194422
7-methyl-3-[3-(trifluoromethyl)phenyl]-1,4-thiazepane 1,1-dioxide
CID 66230681
(2S)-2-[3-fluoro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171196840
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
[2-[3-(trifluoromethyl)phenyl]piperidin-4-yl] acetate
CID 174645067
2-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 62763612
2-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoxaline
CID 71271669
2-[3-(2-fluoropropan-2-yl)phenyl]piperidine
CID 84687033
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
(2S)-2-[3-bromo-5-(trifluoromethyl)phenyl]azetidine
CID 131505510

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride?
The IUPAC name of (2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride (CID 171197302) is (2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride.
What is the SMILES notation for (2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride?
The canonical SMILES for (2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride is Cl.FC(F)(F)c1cccc([C@H]2CCN2)c1.
What is the InChIKey of (2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride?
The InChIKey is CNZBKBSXFLAUQR-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H10F3N.ClH/c11-10(12,13)8-3-1-2-7(6-8)9-4-5-14-9;/h1-3,6,9,14H,4-5H2;1H/t9-;/m1./s1.
What are the key properties of (2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride?
(2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride has a molecular weight of 237.65 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride is sourced from PubChem (CID 171197302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).