(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine

C12H14F3NO — CID 102820030

IUPAC(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
SMILESFC(F)(F)c1ccc(OC[C@@H]2CCCN2)cc1
InChIInChI=1S/C12H14F3NO/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/t10-/m0/s1
InChIKeyPRQPILYRTPXEJS-JTQLQIEISA-N
MW245.24 g/mol
LogP2.84
Rot. Bonds3

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

(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine (PubChem CID 102820030) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is (2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
PubChem CID102820030
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
SMILESFC(F)(F)c1ccc(OC[C@@H]2CCCN2)cc1
InChIInChI=1S/C12H14F3NO/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/t10-/m0/s1
InChIKeyPRQPILYRTPXEJS-JTQLQIEISA-N
XLogP2.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride
CID 129319981
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
hydron;(2R)-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;chloride
CID 69001552
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
piperidin-2-ylmethoxy-bis[4-(trifluoromethyl)phenyl]borane
CID 101217839
2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 62115930
2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride
CID 69002051
4-(pyrrolidin-2-ylmethoxy)-2-(trifluoromethyl)benzamide
CID 62347502
2-[[4-nitro-3-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 62348337

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine?
The IUPAC name of (2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine (CID 102820030) is (2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine?
The canonical SMILES for (2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine is FC(F)(F)c1ccc(OC[C@@H]2CCCN2)cc1.
What is the InChIKey of (2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine?
The InChIKey is PRQPILYRTPXEJS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14F3NO/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/t10-/m0/s1.
What are the key properties of (2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine?
(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine has a molecular weight of 245.24 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine is sourced from PubChem (CID 102820030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).