1,2-dimethyl-4-(trifluoromethyl)pyrrolidine;ethane

C11H24F3N — CID 168939313

IUPAC1,2-dimethyl-4-(trifluoromethyl)pyrrolidine;ethane
SMILESCC.CC.CC1CC(C(F)(F)F)CN1C
InChIInChI=1S/C7H12F3N.2C2H6/c1-5-3-6(4-11(5)2)7(8,9)10;2*1-2/h5-6H,3-4H2,1-2H3;2*1-2H3
InChIKeyJOBGOZPYWUOOSC-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.94
Rot. Bonds

About 1,2-dimethyl-4-(trifluoromethyl)pyrrolidine;ethane

1,2-dimethyl-4-(trifluoromethyl)pyrrolidine;ethane (PubChem CID 168939313) has the molecular formula C11H24F3N and a molecular weight of 227.31 g/mol. Its IUPAC name is 1,2-dimethyl-4-(trifluoromethyl)pyrrolidine;ethane.

Molecular Properties

Compound Name1,2-dimethyl-4-(trifluoromethyl)pyrrolidine;ethane
PubChem CID168939313
Molecular FormulaC11H24F3N
Molecular Weight227.31 g/mol
Exact Mass227.19
IUPAC Name1,2-dimethyl-4-(trifluoromethyl)pyrrolidine;ethane
SMILESCC.CC.CC1CC(C(F)(F)F)CN1C
InChIInChI=1S/C7H12F3N.2C2H6/c1-5-3-6(4-11(5)2)7(8,9)10;2*1-2/h5-6H,3-4H2,1-2H3;2*1-2H3
InChIKeyJOBGOZPYWUOOSC-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,5R)-3-(1,1-difluoroethyl)-1-methyl-5-(trifluoromethyl)piperidine
CID 159797513
[(2S,4S)-1-methyl-4-(trifluoromethyl)pyrrolidin-2-yl]methanol
CID 170901141
ethane;(2R,5R)-1,2,4,5-tetramethylpiperidine
CID 145040358
ethane;1,2,4,5-tetramethylpiperazine
CID 164865311
1,2,5-trimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine
CID 43747487
(2S)-1,2,4-trimethylpyrrolidine
CID 59864868
2-[2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine
CID 169176251
1,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine
CID 81297390
2-tert-butyl-1-methyl-5-(trifluoromethyl)piperidine
CID 155003894
ethane;1-methyl-3-(trifluoromethyl)pyrrolidine
CID 177172924
(2S,5S)-1,2,5-trimethyl-4-(trifluoromethyl)piperazine
CID 166870881
(3S,5S)-1,5-dimethylpyrrolidin-3-ol
CID 59896080

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(trifluoromethyl)pyrrolidine;ethane?
The IUPAC name of 1,2-dimethyl-4-(trifluoromethyl)pyrrolidine;ethane (CID 168939313) is 1,2-dimethyl-4-(trifluoromethyl)pyrrolidine;ethane.
What is the SMILES notation for 1,2-dimethyl-4-(trifluoromethyl)pyrrolidine;ethane?
The canonical SMILES for 1,2-dimethyl-4-(trifluoromethyl)pyrrolidine;ethane is CC.CC.CC1CC(C(F)(F)F)CN1C.
What is the InChIKey of 1,2-dimethyl-4-(trifluoromethyl)pyrrolidine;ethane?
The InChIKey is JOBGOZPYWUOOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N.2C2H6/c1-5-3-6(4-11(5)2)7(8,9)10;2*1-2/h5-6H,3-4H2,1-2H3;2*1-2H3.
What are the key properties of 1,2-dimethyl-4-(trifluoromethyl)pyrrolidine;ethane?
1,2-dimethyl-4-(trifluoromethyl)pyrrolidine;ethane has a molecular weight of 227.31 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(trifluoromethyl)pyrrolidine;ethane is sourced from PubChem (CID 168939313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).