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

C12H15ClF3N — CID 131868892

IUPAC3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(CC2CCNC2)cc1
InChIInChI=1S/C12H14F3N.ClH/c13-12(14,15)11-3-1-9(2-4-11)7-10-5-6-16-8-10;/h1-4,10,16H,5-8H2;1H
InChIKeyMDGPTVPOGNSHMU-UHFFFAOYSA-N
MW265.71 g/mol
LogP3.28
Rot. Bonds2

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

3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride (PubChem CID 131868892) has the molecular formula C12H15ClF3N and a molecular weight of 265.71 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride
PubChem CID131868892
Molecular FormulaC12H15ClF3N
Molecular Weight265.71 g/mol
Exact Mass265.08
IUPAC Name3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(CC2CCNC2)cc1
InChIInChI=1S/C12H14F3N.ClH/c13-12(14,15)11-3-1-9(2-4-11)7-10-5-6-16-8-10;/h1-4,10,16H,5-8H2;1H
InChIKeyMDGPTVPOGNSHMU-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[4-(trifluoromethyl)phenyl]methyl]azetidine;hydrochloride
CID 47002379
3-[[4-(1,1-difluoropropyl)phenyl]methyl]pyrrolidine
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(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine
CID 84665010
3-[[4-(2,2-difluoropropyl)phenyl]methyl]pyrrolidine
CID 84799771
2-[[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 140514504
(3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 58737388
3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84807242
1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene
CID 67129674
4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 83261999
4-(pyrrolidin-3-ylmethyl)benzaldehyde
CID 105443694
1-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)benzene
CID 64508710

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride?
The IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride (CID 131868892) is 3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride?
The canonical SMILES for 3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride is Cl.FC(F)(F)c1ccc(CC2CCNC2)cc1.
What is the InChIKey of 3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride?
The InChIKey is MDGPTVPOGNSHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N.ClH/c13-12(14,15)11-3-1-9(2-4-11)7-10-5-6-16-8-10;/h1-4,10,16H,5-8H2;1H.
What are the key properties of 3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride?
3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride has a molecular weight of 265.71 g/mol, XLogP of 3.28, 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]pyrrolidine;hydrochloride is sourced from PubChem (CID 131868892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).