(3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine

C12H14F3NO — CID 86321036

IUPAC(3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine
SMILESFC(F)(F)c1ccccc1OC[C@H]1CCNC1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)10-3-1-2-4-11(10)17-8-9-5-6-16-7-9/h1-4,9,16H,5-8H2/t9-/m0/s1
InChIKeyGSIOSQZEYSGRMX-VIFPVBQESA-N
MW245.24 g/mol
LogP2.69
Rot. Bonds3

About (3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine

(3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine (PubChem CID 86321036) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is (3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine
PubChem CID86321036
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name(3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine
SMILESFC(F)(F)c1ccccc1OC[C@H]1CCNC1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)10-3-1-2-4-11(10)17-8-9-5-6-16-7-9/h1-4,9,16H,5-8H2/t9-/m0/s1
InChIKeyGSIOSQZEYSGRMX-VIFPVBQESA-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

3-[[2-(2-fluoropropan-2-yl)phenoxy]methyl]pyrrolidine
CID 115042137
(3S)-3-[(2-fluorophenoxy)methyl]pyrrolidine
CID 86316087
4-[[4-[2-(trifluoromethyl)phenoxy]phenoxy]methyl]piperidine
CID 68829498
4-[[2-(1,1-difluoroethyl)phenoxy]methyl]piperidine
CID 115047555
3-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine
CID 115070735
(3S)-3-[(2-iodophenoxy)methyl]pyrrolidine
CID 86321614
3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830113
3-[(2-propoxyphenoxy)methyl]pyrrolidine
CID 55064564
3-[2-[2-(trifluoromethyl)phenoxy]ethyl]azetidine
CID 107391519
3-[[2-bromo-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 115512109
3-[[4-fluoro-3-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 102747174
(3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 58737388

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine?
The IUPAC name of (3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine (CID 86321036) is (3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine.
What is the SMILES notation for (3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine?
The canonical SMILES for (3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine is FC(F)(F)c1ccccc1OC[C@H]1CCNC1.
What is the InChIKey of (3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine?
The InChIKey is GSIOSQZEYSGRMX-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)10-3-1-2-4-11(10)17-8-9-5-6-16-7-9/h1-4,9,16H,5-8H2/t9-/m0/s1.
What are the key properties of (3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine?
(3S)-3-[[2-(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 (3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine is sourced from PubChem (CID 86321036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).