3-[1-[3-(2,2-dimethylpropyl)-3-fluoroazetidin-1-yl]-2-methylpropan-2-yl]-4-fluoropyrrolidine

C16H30F2N2 — CID 167077323

IUPAC3-[1-[3-(2,2-dimethylpropyl)-3-fluoroazetidin-1-yl]-2-methylpropan-2-yl]-4-fluoropyrrolidine
SMILESCC(C)(C)CC1(F)CN(CC(C)(C)C2CNCC2F)C1
InChIInChI=1S/C16H30F2N2/c1-14(2,3)8-16(18)10-20(11-16)9-15(4,5)12-6-19-7-13(12)17/h12-13,19H,6-11H2,1-5H3
InChIKeyXXLDGJAJWHFLOZ-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.03
Rot. Bonds4

About 3-[1-[3-(2,2-dimethylpropyl)-3-fluoroazetidin-1-yl]-2-methylpropan-2-yl]-4-fluoropyrrolidine

3-[1-[3-(2,2-dimethylpropyl)-3-fluoroazetidin-1-yl]-2-methylpropan-2-yl]-4-fluoropyrrolidine (PubChem CID 167077323) has the molecular formula C16H30F2N2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 3-[1-[3-(2,2-dimethylpropyl)-3-fluoroazetidin-1-yl]-2-methylpropan-2-yl]-4-fluoropyrrolidine.

Molecular Properties

Compound Name3-[1-[3-(2,2-dimethylpropyl)-3-fluoroazetidin-1-yl]-2-methylpropan-2-yl]-4-fluoropyrrolidine
PubChem CID167077323
Molecular FormulaC16H30F2N2
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Name3-[1-[3-(2,2-dimethylpropyl)-3-fluoroazetidin-1-yl]-2-methylpropan-2-yl]-4-fluoropyrrolidine
SMILESCC(C)(C)CC1(F)CN(CC(C)(C)C2CNCC2F)C1
InChIInChI=1S/C16H30F2N2/c1-14(2,3)8-16(18)10-20(11-16)9-15(4,5)12-6-19-7-13(12)17/h12-13,19H,6-11H2,1-5H3
InChIKeyXXLDGJAJWHFLOZ-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-Tert-butylpyrrolidin-1-yl)-2-fluoropropan-1-amine
CID 70646114
3-Tert-butyl-4-fluoropyrrolidine
CID 115011654
(3R)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine
CID 126573374
(3S)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine
CID 126580701
(3S,4S)-3-tert-butyl-4-fluoropyrrolidine
CID 129462945
3-Ethyl-4-fluoro-3-propan-2-ylpyrrolidine
CID 132133749
3-[2-(3,3-Difluoroazetidin-1-yl)ethyl]pyrrolidine
CID 145259611
(4S)-3-tert-butyl-4-fluoropyrrolidine
CID 146488138
3-[(3-Fluoroazetidin-1-yl)methyl]-6-azaspiro[3.4]octane
CID 177005460
2-(3-Fluoropyrrolidin-3-yl)-2-methylpropan-1-amine
CID 105431494
2,2,2-trifluoro-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 106981719
2,2,2-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 106981743

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(2,2-dimethylpropyl)-3-fluoroazetidin-1-yl]-2-methylpropan-2-yl]-4-fluoropyrrolidine?
The IUPAC name of 3-[1-[3-(2,2-dimethylpropyl)-3-fluoroazetidin-1-yl]-2-methylpropan-2-yl]-4-fluoropyrrolidine (CID 167077323) is 3-[1-[3-(2,2-dimethylpropyl)-3-fluoroazetidin-1-yl]-2-methylpropan-2-yl]-4-fluoropyrrolidine.
What is the SMILES notation for 3-[1-[3-(2,2-dimethylpropyl)-3-fluoroazetidin-1-yl]-2-methylpropan-2-yl]-4-fluoropyrrolidine?
The canonical SMILES for 3-[1-[3-(2,2-dimethylpropyl)-3-fluoroazetidin-1-yl]-2-methylpropan-2-yl]-4-fluoropyrrolidine is CC(C)(C)CC1(F)CN(CC(C)(C)C2CNCC2F)C1.
What is the InChIKey of 3-[1-[3-(2,2-dimethylpropyl)-3-fluoroazetidin-1-yl]-2-methylpropan-2-yl]-4-fluoropyrrolidine?
The InChIKey is XXLDGJAJWHFLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2N2/c1-14(2,3)8-16(18)10-20(11-16)9-15(4,5)12-6-19-7-13(12)17/h12-13,19H,6-11H2,1-5H3.
What are the key properties of 3-[1-[3-(2,2-dimethylpropyl)-3-fluoroazetidin-1-yl]-2-methylpropan-2-yl]-4-fluoropyrrolidine?
3-[1-[3-(2,2-dimethylpropyl)-3-fluoroazetidin-1-yl]-2-methylpropan-2-yl]-4-fluoropyrrolidine has a molecular weight of 288.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(2,2-dimethylpropyl)-3-fluoroazetidin-1-yl]-2-methylpropan-2-yl]-4-fluoropyrrolidine is sourced from PubChem (CID 167077323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).