(2R)-2-[2,4-bis(trifluoromethyl)phenyl]pyrrolidine

C12H11F6N — CID 171196029

IUPAC(2R)-2-[2,4-bis(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1ccc([C@H]2CCCN2)c(C(F)(F)F)c1
InChIInChI=1S/C12H11F6N/c13-11(14,15)7-3-4-8(10-2-1-5-19-10)9(6-7)12(16,17)18/h3-4,6,10,19H,1-2,5H2/t10-/m1/s1
InChIKeyJROOKKQCHIXORP-SNVBAGLBSA-N
MW283.22 g/mol
LogP4.15
Rot. Bonds1

About (2R)-2-[2,4-bis(trifluoromethyl)phenyl]pyrrolidine

(2R)-2-[2,4-bis(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 171196029) has the molecular formula C12H11F6N and a molecular weight of 283.22 g/mol. Its IUPAC name is (2R)-2-[2,4-bis(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[2,4-bis(trifluoromethyl)phenyl]pyrrolidine
PubChem CID171196029
Molecular FormulaC12H11F6N
Molecular Weight283.22 g/mol
Exact Mass283.08
IUPAC Name(2R)-2-[2,4-bis(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1ccc([C@H]2CCCN2)c(C(F)(F)F)c1
InChIInChI=1S/C12H11F6N/c13-11(14,15)7-3-4-8(10-2-1-5-19-10)9(6-7)12(16,17)18/h3-4,6,10,19H,1-2,5H2/t10-/m1/s1
InChIKeyJROOKKQCHIXORP-SNVBAGLBSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[2,5-bis(trifluoromethyl)phenyl]pyrrolidine
CID 171196002
(2S)-2-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine
CID 66519451
2-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine
CID 103693387
(2S)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine
CID 66519435
(2R)-2-[2,4-bis(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 171194540
(3R)-3-[2,4-bis(trifluoromethyl)phenyl]morpholine
CID 171192773
2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine
CID 77131939
(2S)-2-[2-methoxy-4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 171195272
2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethyl)aniline
CID 66519144
(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196381
2-[4-fluoro-2-(trifluoromethyl)phenyl]azetidine
CID 79016148
2-(azepan-2-yl)-4-(trifluoromethyl)benzonitrile
CID 141175039

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2,4-bis(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of (2R)-2-[2,4-bis(trifluoromethyl)phenyl]pyrrolidine (CID 171196029) is (2R)-2-[2,4-bis(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[2,4-bis(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for (2R)-2-[2,4-bis(trifluoromethyl)phenyl]pyrrolidine is FC(F)(F)c1ccc([C@H]2CCCN2)c(C(F)(F)F)c1.
What is the InChIKey of (2R)-2-[2,4-bis(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is JROOKKQCHIXORP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H11F6N/c13-11(14,15)7-3-4-8(10-2-1-5-19-10)9(6-7)12(16,17)18/h3-4,6,10,19H,1-2,5H2/t10-/m1/s1.
What are the key properties of (2R)-2-[2,4-bis(trifluoromethyl)phenyl]pyrrolidine?
(2R)-2-[2,4-bis(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 283.22 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2,4-bis(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 171196029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).