(2S)-2-[3-fluoro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride

C10H10ClF4N — CID 171196840

IUPAC(2S)-2-[3-fluoro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride
SMILESCl.Fc1cc([C@@H]2CCN2)cc(C(F)(F)F)c1
InChIInChI=1S/C10H9F4N.ClH/c11-8-4-6(9-1-2-15-9)3-7(5-8)10(12,13)14;/h3-5,9,15H,1-2H2;1H/t9-;/m0./s1
InChIKeyBTYJGAGIDDZARD-FVGYRXGTSA-N
MW255.64 g/mol
LogP3.30
Rot. Bonds1

About (2S)-2-[3-fluoro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride

(2S)-2-[3-fluoro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride (PubChem CID 171196840) has the molecular formula C10H10ClF4N and a molecular weight of 255.64 g/mol. Its IUPAC name is (2S)-2-[3-fluoro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[3-fluoro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride
PubChem CID171196840
Molecular FormulaC10H10ClF4N
Molecular Weight255.64 g/mol
Exact Mass255.04
IUPAC Name(2S)-2-[3-fluoro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride
SMILESCl.Fc1cc([C@@H]2CCN2)cc(C(F)(F)F)c1
InChIInChI=1S/C10H9F4N.ClH/c11-8-4-6(9-1-2-15-9)3-7(5-8)10(12,13)14;/h3-5,9,15H,1-2H2;1H/t9-;/m0./s1
InChIKeyBTYJGAGIDDZARD-FVGYRXGTSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.64
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-2-[3-fluoro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[3-bromo-5-(trifluoromethyl)phenyl]azetidine
CID 131505510
3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylpyrrolidine
CID 115351224
(2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197302
(2S)-2-(3-bromo-5-fluorophenyl)azetidine
CID 130705750
2-(4-fluorophenyl)azetidine;hydrochloride
CID 155891542
2-ethyl-2-[(2R,5S)-5-[3-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-2-yl]butanoic acid
CID 138716275
trans-(1S,2R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 171921160
(2R)-2-[3-fluoro-4-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197362
2-[3-fluoro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-1,3-thiazolidine
CID 115351231
6-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dimethylmorpholine
CID 115351325
(4R)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171188276
(1R,7aS)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-one
CID 144785628

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-fluoro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride?
The IUPAC name of (2S)-2-[3-fluoro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride (CID 171196840) is (2S)-2-[3-fluoro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride.
What is the SMILES notation for (2S)-2-[3-fluoro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride?
The canonical SMILES for (2S)-2-[3-fluoro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride is Cl.Fc1cc([C@@H]2CCN2)cc(C(F)(F)F)c1.
What is the InChIKey of (2S)-2-[3-fluoro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride?
The InChIKey is BTYJGAGIDDZARD-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H9F4N.ClH/c11-8-4-6(9-1-2-15-9)3-7(5-8)10(12,13)14;/h3-5,9,15H,1-2H2;1H/t9-;/m0./s1.
What are the key properties of (2S)-2-[3-fluoro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride?
(2S)-2-[3-fluoro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride has a molecular weight of 255.64 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-fluoro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride is sourced from PubChem (CID 171196840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).