2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride

C12H15ClF3NO — CID 129319981

IUPAC2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(OCC2CCCN2)cc1
InChIInChI=1S/C12H14F3NO.ClH/c13-12(14,15)9-3-5-11(6-4-9)17-8-10-2-1-7-16-10;/h3-6,10,16H,1-2,7-8H2;1H
InChIKeyBPOPGOJDPMTYRI-UHFFFAOYSA-N
MW281.70 g/mol
LogP3.26
Rot. Bonds3

About 2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride

2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride (PubChem CID 129319981) has the molecular formula C12H15ClF3NO and a molecular weight of 281.70 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride
PubChem CID129319981
Molecular FormulaC12H15ClF3NO
Molecular Weight281.70 g/mol
Exact Mass281.08
IUPAC Name2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(OCC2CCCN2)cc1
InChIInChI=1S/C12H14F3NO.ClH/c13-12(14,15)9-3-5-11(6-4-9)17-8-10-2-1-7-16-10;/h3-6,10,16H,1-2,7-8H2;1H
InChIKeyBPOPGOJDPMTYRI-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 102820030
2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine;hydrochloride
CID 69001620
(2R)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;hydrochloride
CID 68998882
1-[4-(pyrrolidin-2-ylmethoxy)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 134389097
2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 43150630
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
hydron;(2R)-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;chloride
CID 69001552
2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride
CID 69002051
piperidin-2-ylmethoxy-bis[4-(trifluoromethyl)phenyl]borane
CID 101217839
2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 62115930
2-[[4-nitro-3-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 62348337
4-(pyrrolidin-2-ylmethoxy)-2-(trifluoromethyl)benzamide
CID 62347502

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride?
The IUPAC name of 2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride (CID 129319981) is 2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride is Cl.FC(F)(F)c1ccc(OCC2CCCN2)cc1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride?
The InChIKey is BPOPGOJDPMTYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO.ClH/c13-12(14,15)9-3-5-11(6-4-9)17-8-10-2-1-7-16-10;/h3-6,10,16H,1-2,7-8H2;1H.
What are the key properties of 2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride?
2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride has a molecular weight of 281.70 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 129319981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).