3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine)

C46H95F5N6 — CID 157122297

IUPAC3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine)
SMILESC.CC(C)N1CC(F)(F)C1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CC[C@@](C)(F)C1.CC1CN(C(C)C)C1
InChIInChI=1S/C8H15F2N.C8H16FN.2C8H17N.C7H15N.C6H11F2N.CH4/c1-7(2)11-5-3-8(9,10)4-6-11;1-7(2)10-5-4-8(3,9)6-10;2*1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-7(3)5-8;1-5(2)9-3-6(7,8)4-9;/h7H,3-6H2,1-2H3;7H,4-6H2,1-3H3;2*8H,3-7H2,1-2H3;6-7H,4-5H2,1-3H3;5H,3-4H2,1-2H3;1H4/t;8-;;;;;/m.1...../s1
InChIKeyAICNWFBCQHSRRP-YXZVGQBFSA-N
MW827.30 g/mol
LogP11.04
Rot. Bonds6

About 3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine)

3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine) (PubChem CID 157122297) has the molecular formula C46H95F5N6 and a molecular weight of 827.30 g/mol. Its IUPAC name is 3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine).

Molecular Properties

Compound Name3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine)
PubChem CID157122297
Molecular FormulaC46H95F5N6
Molecular Weight827.30 g/mol
Exact Mass826.75
IUPAC Name3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine)
SMILESC.CC(C)N1CC(F)(F)C1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CC[C@@](C)(F)C1.CC1CN(C(C)C)C1
InChIInChI=1S/C8H15F2N.C8H16FN.2C8H17N.C7H15N.C6H11F2N.CH4/c1-7(2)11-5-3-8(9,10)4-6-11;1-7(2)10-5-4-8(3,9)6-10;2*1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-7(3)5-8;1-5(2)9-3-6(7,8)4-9;/h7H,3-6H2,1-2H3;7H,4-6H2,1-3H3;2*8H,3-7H2,1-2H3;6-7H,4-5H2,1-3H3;5H,3-4H2,1-2H3;1H4/t;8-;;;;;/m.1...../s1
InChIKeyAICNWFBCQHSRRP-YXZVGQBFSA-N
XLogP11.04
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.30
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Butan-2-yl-7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane;2-ethyl-7-[(1-ethylpiperidin-4-yl)methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonane
CID 154670882
7-[[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-methyl-2,7-diazaspiro[3.5]nonane;5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 154671595
2-Butan-2-yl-7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane;ethane;2-ethyl-7-[(1-ethylpiperidin-4-yl)methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonane
CID 154671628
3,3-Difluoro-1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)azetidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-fluoro-1,4-di(propan-2-yl)piperidine
CID 165018625
7-[[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;5,5-difluoro-2-propan-2-yl-7-[(1-propylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 166466680
3-Fluoro-3-methyl-1-propan-2-ylazetidine;1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
CID 163934416

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine)?
The IUPAC name of 3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine) (CID 157122297) is 3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine).
What is the SMILES notation for 3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine)?
The canonical SMILES for 3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine) is C.CC(C)N1CC(F)(F)C1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CC[C@@](C)(F)C1.CC1CN(C(C)C)C1.
What is the InChIKey of 3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine)?
The InChIKey is AICNWFBCQHSRRP-YXZVGQBFSA-N. The full InChI is InChI=1S/C8H15F2N.C8H16FN.2C8H17N.C7H15N.C6H11F2N.CH4/c1-7(2)11-5-3-8(9,10)4-6-11;1-7(2)10-5-4-8(3,9)6-10;2*1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-7(3)5-8;1-5(2)9-3-6(7,8)4-9;/h7H,3-6H2,1-2H3;7H,4-6H2,1-3H3;2*8H,3-7H2,1-2H3;6-7H,4-5H2,1-3H3;5H,3-4H2,1-2H3;1H4/t;8-;;;;;/m.1...../s1.
What are the key properties of 3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine)?
3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine) has a molecular weight of 827.30 g/mol, XLogP of 11.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;(3R)-3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine) is sourced from PubChem (CID 157122297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).