(3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine

C12H14F3NO — CID 58737388

IUPAC(3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
SMILESFC(F)(F)c1ccc(OC[C@@H]2CCNC2)cc1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)10-1-3-11(4-2-10)17-8-9-5-6-16-7-9/h1-4,9,16H,5-8H2/t9-/m1/s1
InChIKeyXIYHHXOOZDTTIM-SECBINFHSA-N
MW245.24 g/mol
LogP2.69
Rot. Bonds3

About (3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine

(3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine (PubChem CID 58737388) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is (3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
PubChem CID58737388
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name(3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
SMILESFC(F)(F)c1ccc(OC[C@@H]2CCNC2)cc1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)10-1-3-11(4-2-10)17-8-9-5-6-16-7-9/h1-4,9,16H,5-8H2/t9-/m1/s1
InChIKeyXIYHHXOOZDTTIM-SECBINFHSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine
CID 86321325
3-[[4-fluoro-3-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 102747174
3-[[2-bromo-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 115512109
3-[[4-(trifluoromethylsulfonyl)phenoxy]methyl]pyrrolidine
CID 62371607
3-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]pyrrolidine;hydrochloride
CID 53409611
(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487
3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830321
(3R)-3-[(3,4-difluorophenoxy)methyl]pyrrolidine
CID 86317833
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride
CID 131868892
4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride
CID 46735634
(3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 86321036

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine?
The IUPAC name of (3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine (CID 58737388) is (3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine.
What is the SMILES notation for (3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine?
The canonical SMILES for (3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine is FC(F)(F)c1ccc(OC[C@@H]2CCNC2)cc1.
What is the InChIKey of (3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine?
The InChIKey is XIYHHXOOZDTTIM-SECBINFHSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)10-1-3-11(4-2-10)17-8-9-5-6-16-7-9/h1-4,9,16H,5-8H2/t9-/m1/s1.
What are the key properties of (3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine?
(3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine has a molecular weight of 245.24 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine is sourced from PubChem (CID 58737388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).