(3R)-3-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine

C12H11F6N — CID 124566972

IUPAC(3R)-3-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1cccc([C@]2(C(F)(F)F)CCNC2)c1
InChIInChI=1S/C12H11F6N/c13-11(14,15)9-3-1-2-8(6-9)10(12(16,17)18)4-5-19-7-10/h1-3,6,19H,4-5,7H2/t10-/m0/s1
InChIKeyCOOLEAUCLZUGDL-JTQLQIEISA-N
MW283.21 g/mol
LogP3.50
Rot. Bonds1

About (3R)-3-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine

(3R)-3-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 124566972) has the molecular formula C12H11F6N and a molecular weight of 283.21 g/mol. Its IUPAC name is (3R)-3-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID124566972
Molecular FormulaC12H11F6N
Molecular Weight283.21 g/mol
Exact Mass283.08
IUPAC Name(3R)-3-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1cccc([C@]2(C(F)(F)F)CCNC2)c1
InChIInChI=1S/C12H11F6N/c13-11(14,15)9-3-1-2-8(6-9)10(12(16,17)18)4-5-19-7-10/h1-3,6,19H,4-5,7H2/t10-/m0/s1
InChIKeyCOOLEAUCLZUGDL-JTQLQIEISA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-phenyl-3-(trifluoromethyl)pyrrolidine
CID 131256316
4-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 63156452
1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene
CID 59590181
(1S,5S)-1-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
CID 98043441
2-[3-(trifluoromethyl)phenyl]spiro[3.5]nonan-2-amine
CID 65007104
4-[3-(trifluoromethyl)phenoxy]piperidin-4-ol
CID 123599600
(2R)-2-(1,1,2,2,2-pentafluoroethyl)-2-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 98042591
1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile
CID 43119035
2-propyl-2-[3-(trifluoromethyl)phenyl]azetidine
CID 115059013
2-amino-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 139573660
1-(1-isocyanocyclopropyl)-3-(trifluoromethyl)benzene
CID 105464720
4-methyl-4-[3-(trifluoromethyl)phenyl]azetidin-2-one
CID 64666853

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of (3R)-3-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine (CID 124566972) is (3R)-3-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for (3R)-3-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for (3R)-3-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine is FC(F)(F)c1cccc([C@]2(C(F)(F)F)CCNC2)c1.
What is the InChIKey of (3R)-3-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is COOLEAUCLZUGDL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H11F6N/c13-11(14,15)9-3-1-2-8(6-9)10(12(16,17)18)4-5-19-7-10/h1-3,6,19H,4-5,7H2/t10-/m0/s1.
What are the key properties of (3R)-3-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine?
(3R)-3-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 283.21 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 124566972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).