3,3-difluoro-1-propan-2-ylpyrrolidine;ethane;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine

C19H39F5N2 — CID 166471018

IUPAC3,3-difluoro-1-propan-2-ylpyrrolidine;ethane;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine
SMILESCC.CC.CC(C)N1CCC(F)(F)C1.CC(C)N1CCCC1C(F)(F)F
InChIInChI=1S/C8H14F3N.C7H13F2N.2C2H6/c1-6(2)12-5-3-4-7(12)8(9,10)11;1-6(2)10-4-3-7(8,9)5-10;2*1-2/h6-7H,3-5H2,1-2H3;6H,3-5H2,1-2H3;2*1-2H3
InChIKeySPSPBPLTARRCIO-UHFFFAOYSA-N
MW390.53 g/mol
LogP6.21
Rot. Bonds2

About 3,3-difluoro-1-propan-2-ylpyrrolidine;ethane;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine

3,3-difluoro-1-propan-2-ylpyrrolidine;ethane;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine (PubChem CID 166471018) has the molecular formula C19H39F5N2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 3,3-difluoro-1-propan-2-ylpyrrolidine;ethane;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-propan-2-ylpyrrolidine;ethane;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine
PubChem CID166471018
Molecular FormulaC19H39F5N2
Molecular Weight390.53 g/mol
Exact Mass390.30
IUPAC Name3,3-difluoro-1-propan-2-ylpyrrolidine;ethane;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine
SMILESCC.CC.CC(C)N1CCC(F)(F)C1.CC(C)N1CCCC1C(F)(F)F
InChIInChI=1S/C8H14F3N.C7H13F2N.2C2H6/c1-6(2)12-5-3-4-7(12)8(9,10)11;1-6(2)10-4-3-7(8,9)5-10;2*1-2/h6-7H,3-5H2,1-2H3;6H,3-5H2,1-2H3;2*1-2H3
InChIKeySPSPBPLTARRCIO-UHFFFAOYSA-N
XLogP6.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine
CID 135201778
(2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine
CID 146615150
2-(1-propan-2-ylpyrrolidin-2-yl)propan-2-ol
CID 72560293
2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane
CID 170740276
(2R)-2-tert-butyl-1-propan-2-ylpiperidine
CID 171587843
ethane;1-propan-2-yl-3-(trifluoromethyl)piperidine
CID 178173299
2-tert-butyl-5-fluoro-5-methyl-1-propan-2-ylazepane
CID 175612284
3-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine
CID 135165727
1-propan-2-yl-2-(trifluoromethyl)aziridine
CID 166046410
1-[3-(azetidin-1-yl)-3-methylbutan-2-yl]-3,3-difluoropyrrolidine
CID 166786710
4-tert-butyl-1-propan-2-yl-2-(trifluoromethyl)piperidine
CID 163750936
(2R)-1,2-di(propan-2-yl)pyrrolidine
CID 59965991

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-propan-2-ylpyrrolidine;ethane;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine?
The IUPAC name of 3,3-difluoro-1-propan-2-ylpyrrolidine;ethane;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine (CID 166471018) is 3,3-difluoro-1-propan-2-ylpyrrolidine;ethane;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-propan-2-ylpyrrolidine;ethane;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 3,3-difluoro-1-propan-2-ylpyrrolidine;ethane;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine is CC.CC.CC(C)N1CCC(F)(F)C1.CC(C)N1CCCC1C(F)(F)F.
What is the InChIKey of 3,3-difluoro-1-propan-2-ylpyrrolidine;ethane;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine?
The InChIKey is SPSPBPLTARRCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N.C7H13F2N.2C2H6/c1-6(2)12-5-3-4-7(12)8(9,10)11;1-6(2)10-4-3-7(8,9)5-10;2*1-2/h6-7H,3-5H2,1-2H3;6H,3-5H2,1-2H3;2*1-2H3.
What are the key properties of 3,3-difluoro-1-propan-2-ylpyrrolidine;ethane;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine?
3,3-difluoro-1-propan-2-ylpyrrolidine;ethane;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine has a molecular weight of 390.53 g/mol, XLogP of 6.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-propan-2-ylpyrrolidine;ethane;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 166471018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).