3-[[4-(trifluoromethyl)phenyl]methyl]azetidine;hydrochloride

C11H13ClF3N — CID 47002379

IUPAC3-[[4-(trifluoromethyl)phenyl]methyl]azetidine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(CC2CNC2)cc1
InChIInChI=1S/C11H12F3N.ClH/c12-11(13,14)10-3-1-8(2-4-10)5-9-6-15-7-9;/h1-4,9,15H,5-7H2;1H
InChIKeyMBDLPYRHZMBWMZ-UHFFFAOYSA-N
MW251.68 g/mol
LogP2.89
Rot. Bonds2

About 3-[[4-(trifluoromethyl)phenyl]methyl]azetidine;hydrochloride

3-[[4-(trifluoromethyl)phenyl]methyl]azetidine;hydrochloride (PubChem CID 47002379) has the molecular formula C11H13ClF3N and a molecular weight of 251.68 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)phenyl]methyl]azetidine;hydrochloride.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)phenyl]methyl]azetidine;hydrochloride
PubChem CID47002379
Molecular FormulaC11H13ClF3N
Molecular Weight251.68 g/mol
Exact Mass251.07
IUPAC Name3-[[4-(trifluoromethyl)phenyl]methyl]azetidine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(CC2CNC2)cc1
InChIInChI=1S/C11H12F3N.ClH/c12-11(13,14)10-3-1-8(2-4-10)5-9-6-15-7-9;/h1-4,9,15H,5-7H2;1H
InChIKeyMBDLPYRHZMBWMZ-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride
CID 131868892
1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene
CID 67129674
2-[[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 140514504
4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 83261999
3-[2-[4-(trifluoromethyl)phenyl]ethoxy]azetidine
CID 115070494
3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline
CID 106778836
3-[(4-bromophenyl)methyl]azetidine;2,2,2-trifluoroacetic acid
CID 134690756
6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane
CID 69404406
1-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)benzene
CID 64508710
3-[[4-(1,1-difluoropropyl)phenyl]methyl]pyrrolidine
CID 116991916
methyl 2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate
CID 117270201
6-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 155895975

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methyl]azetidine;hydrochloride?
The IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methyl]azetidine;hydrochloride (CID 47002379) is 3-[[4-(trifluoromethyl)phenyl]methyl]azetidine;hydrochloride.
What is the SMILES notation for 3-[[4-(trifluoromethyl)phenyl]methyl]azetidine;hydrochloride?
The canonical SMILES for 3-[[4-(trifluoromethyl)phenyl]methyl]azetidine;hydrochloride is Cl.FC(F)(F)c1ccc(CC2CNC2)cc1.
What is the InChIKey of 3-[[4-(trifluoromethyl)phenyl]methyl]azetidine;hydrochloride?
The InChIKey is MBDLPYRHZMBWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N.ClH/c12-11(13,14)10-3-1-8(2-4-10)5-9-6-15-7-9;/h1-4,9,15H,5-7H2;1H.
What are the key properties of 3-[[4-(trifluoromethyl)phenyl]methyl]azetidine;hydrochloride?
3-[[4-(trifluoromethyl)phenyl]methyl]azetidine;hydrochloride has a molecular weight of 251.68 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)phenyl]methyl]azetidine;hydrochloride is sourced from PubChem (CID 47002379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).