ethane;3-fluoro-1-propan-2-ylazetidine;4-fluoro-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine

C25H55F2N3O — CID 169163787

IUPACethane;3-fluoro-1-propan-2-ylazetidine;4-fluoro-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine
SMILESCC.CC.CC(C)N1CC(F)C1.CC(C)N1CCC(F)CC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H16FN.C7H15NO.C6H12FN.2C2H6/c1-7(2)10-5-3-8(9)4-6-10;1-7(2)8-3-5-9-6-4-8;1-5(2)8-3-6(7)4-8;2*1-2/h7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3;2*1-2H3
InChIKeyDZKGDYMGGXSQGS-UHFFFAOYSA-N
MW451.73 g/mol
LogP5.66
Rot. Bonds3

About ethane;3-fluoro-1-propan-2-ylazetidine;4-fluoro-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine

ethane;3-fluoro-1-propan-2-ylazetidine;4-fluoro-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine (PubChem CID 169163787) has the molecular formula C25H55F2N3O and a molecular weight of 451.73 g/mol. Its IUPAC name is ethane;3-fluoro-1-propan-2-ylazetidine;4-fluoro-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine.

Molecular Properties

Compound Nameethane;3-fluoro-1-propan-2-ylazetidine;4-fluoro-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine
PubChem CID169163787
Molecular FormulaC25H55F2N3O
Molecular Weight451.73 g/mol
Exact Mass451.43
IUPAC Nameethane;3-fluoro-1-propan-2-ylazetidine;4-fluoro-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine
SMILESCC.CC.CC(C)N1CC(F)C1.CC(C)N1CCC(F)CC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H16FN.C7H15NO.C6H12FN.2C2H6/c1-7(2)10-5-3-8(9)4-6-10;1-7(2)8-3-5-9-6-4-8;1-5(2)8-3-6(7)4-8;2*1-2/h7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3;2*1-2H3
InChIKeyDZKGDYMGGXSQGS-UHFFFAOYSA-N
XLogP5.66
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.73
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;3-fluoro-1-propan-2-ylazetidine;4-fluoro-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine with MolForge

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Related Compounds

4,4-Difluoro-1-methylpiperidine;ethane;2-ethyl-4-methylmorpholine
CID 144926144
4,4-Difluoro-3-methyl-1-(oxetan-3-yl)piperidine;4,4-difluoro-3-methyl-1-propan-2-ylpiperidine;ethane
CID 145332669
4-[1-[5-(4,4-Difluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]azetidin-3-yl]morpholine
CID 146528974
4-(3-Fluoro-1-methylpiperidin-4-yl)morpholine
CID 156431226
4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]morpholine
CID 158144476
4-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]morpholine
CID 158144477
4,4-Difluoro-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine
CID 169266269
2-[(4-Fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-7-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,7-diazaspiro[3.5]nonane
CID 172129237
4,4-Difluoro-1-propan-2-ylpiperidine;ethane;4-(2-methylpropyl)morpholine
CID 177030560
1-[(2R)-4-[1-[6-[1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 177158447
6-(2-Ethoxyethyl)-3-ethyl-3,6-diazabicyclo[3.1.1]heptane
CID 124199571
6-(2-Ethoxyethyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
CID 124199574

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-1-propan-2-ylazetidine;4-fluoro-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine?
The IUPAC name of ethane;3-fluoro-1-propan-2-ylazetidine;4-fluoro-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine (CID 169163787) is ethane;3-fluoro-1-propan-2-ylazetidine;4-fluoro-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine.
What is the SMILES notation for ethane;3-fluoro-1-propan-2-ylazetidine;4-fluoro-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine?
The canonical SMILES for ethane;3-fluoro-1-propan-2-ylazetidine;4-fluoro-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine is CC.CC.CC(C)N1CC(F)C1.CC(C)N1CCC(F)CC1.CC(C)N1CCOCC1.
What is the InChIKey of ethane;3-fluoro-1-propan-2-ylazetidine;4-fluoro-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine?
The InChIKey is DZKGDYMGGXSQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN.C7H15NO.C6H12FN.2C2H6/c1-7(2)10-5-3-8(9)4-6-10;1-7(2)8-3-5-9-6-4-8;1-5(2)8-3-6(7)4-8;2*1-2/h7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3;2*1-2H3.
What are the key properties of ethane;3-fluoro-1-propan-2-ylazetidine;4-fluoro-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine?
ethane;3-fluoro-1-propan-2-ylazetidine;4-fluoro-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine has a molecular weight of 451.73 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-1-propan-2-ylazetidine;4-fluoro-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine is sourced from PubChem (CID 169163787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).