(2R)-2-[3-fluoro-4-(trifluoromethyl)phenyl]azetidine;hydrochloride

C10H10ClF4N — CID 171197362

IUPAC(2R)-2-[3-fluoro-4-(trifluoromethyl)phenyl]azetidine;hydrochloride
SMILESCl.Fc1cc([C@H]2CCN2)ccc1C(F)(F)F
InChIInChI=1S/C10H9F4N.ClH/c11-8-5-6(9-3-4-15-9)1-2-7(8)10(12,13)14;/h1-2,5,9,15H,3-4H2;1H/t9-;/m1./s1
InChIKeyIRKHSYFXNROXSH-SBSPUUFOSA-N
MW255.64 g/mol
LogP3.30
Rot. Bonds1

About (2R)-2-[3-fluoro-4-(trifluoromethyl)phenyl]azetidine;hydrochloride

(2R)-2-[3-fluoro-4-(trifluoromethyl)phenyl]azetidine;hydrochloride (PubChem CID 171197362) has the molecular formula C10H10ClF4N and a molecular weight of 255.64 g/mol. Its IUPAC name is (2R)-2-[3-fluoro-4-(trifluoromethyl)phenyl]azetidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-[3-fluoro-4-(trifluoromethyl)phenyl]azetidine;hydrochloride
PubChem CID171197362
Molecular FormulaC10H10ClF4N
Molecular Weight255.64 g/mol
Exact Mass255.04
IUPAC Name(2R)-2-[3-fluoro-4-(trifluoromethyl)phenyl]azetidine;hydrochloride
SMILESCl.Fc1cc([C@H]2CCN2)ccc1C(F)(F)F
InChIInChI=1S/C10H9F4N.ClH/c11-8-5-6(9-3-4-15-9)1-2-7(8)10(12,13)14;/h1-2,5,9,15H,3-4H2;1H/t9-;/m1./s1
InChIKeyIRKHSYFXNROXSH-SBSPUUFOSA-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

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Related Compounds

2-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid;hydrochloride
CID 66731710
2-[3-fluoro-4-(trifluoromethyl)phenyl]piperazine
CID 91666755
(2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196281
2-[3-methoxy-4-(trifluoromethyl)phenyl]azetidine
CID 130043562
2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 126796326
(4S)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 171184055
(2R)-2-(3-fluoro-4-methylphenyl)azetidine
CID 130737796
(2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196154
2-(4-fluorophenyl)azetidine;hydrochloride
CID 155891542
(2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197302
5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 71247281
2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 107290684

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-fluoro-4-(trifluoromethyl)phenyl]azetidine;hydrochloride?
The IUPAC name of (2R)-2-[3-fluoro-4-(trifluoromethyl)phenyl]azetidine;hydrochloride (CID 171197362) is (2R)-2-[3-fluoro-4-(trifluoromethyl)phenyl]azetidine;hydrochloride.
What is the SMILES notation for (2R)-2-[3-fluoro-4-(trifluoromethyl)phenyl]azetidine;hydrochloride?
The canonical SMILES for (2R)-2-[3-fluoro-4-(trifluoromethyl)phenyl]azetidine;hydrochloride is Cl.Fc1cc([C@H]2CCN2)ccc1C(F)(F)F.
What is the InChIKey of (2R)-2-[3-fluoro-4-(trifluoromethyl)phenyl]azetidine;hydrochloride?
The InChIKey is IRKHSYFXNROXSH-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H9F4N.ClH/c11-8-5-6(9-3-4-15-9)1-2-7(8)10(12,13)14;/h1-2,5,9,15H,3-4H2;1H/t9-;/m1./s1.
What are the key properties of (2R)-2-[3-fluoro-4-(trifluoromethyl)phenyl]azetidine;hydrochloride?
(2R)-2-[3-fluoro-4-(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 (2R)-2-[3-fluoro-4-(trifluoromethyl)phenyl]azetidine;hydrochloride is sourced from PubChem (CID 171197362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).