3-fluoro-3-methyl-1-propan-2-ylazetidine;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

C29H63FN4 — CID 159989792

IUPAC3-fluoro-3-methyl-1-propan-2-ylazetidine;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESC.CC(C)N1CC(C)(F)C1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1
InChIInChI=1S/C8H17N.C7H14FN.C7H15N.C6H13N.CH4/c1-8(2)9-6-4-3-5-7-9;1-6(2)9-4-7(3,8)5-9;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7;/h8H,3-7H2,1-2H3;6H,4-5H2,1-3H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;1H4
InChIKeyOGUOEQGLCQRREZ-UHFFFAOYSA-N
MW486.85 g/mol
LogP6.55
Rot. Bonds4

About 3-fluoro-3-methyl-1-propan-2-ylazetidine;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

3-fluoro-3-methyl-1-propan-2-ylazetidine;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (PubChem CID 159989792) has the molecular formula C29H63FN4 and a molecular weight of 486.85 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-propan-2-ylazetidine;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-propan-2-ylazetidine;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
PubChem CID159989792
Molecular FormulaC29H63FN4
Molecular Weight486.85 g/mol
Exact Mass486.50
IUPAC Name3-fluoro-3-methyl-1-propan-2-ylazetidine;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESC.CC(C)N1CC(C)(F)C1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1
InChIInChI=1S/C8H17N.C7H14FN.C7H15N.C6H13N.CH4/c1-8(2)9-6-4-3-5-7-9;1-6(2)9-4-7(3,8)5-9;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7;/h8H,3-7H2,1-2H3;6H,4-5H2,1-3H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;1H4
InChIKeyOGUOEQGLCQRREZ-UHFFFAOYSA-N
XLogP6.55
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.85
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-3-methyl-1-propan-2-ylazetidine;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 167622043
ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
ethane;1-propan-2-ylpyrrolidine
CID 167557798
1-propan-2-ylpiperidine;hydrobromide
CID 44887258
fluoroform;1-propan-2-ylpyrrolidine
CID 169177583
ethene;1-propan-2-ylpiperidine
CID 177325228
3,3-difluoro-1-propan-2-ylazetidine;3-fluoro-1-propan-2-ylazetidine;1-propan-2-ylazetidine
CID 159521327
ethane;1-methylazepane;1-propan-2-ylpiperidine
CID 170601993
propan-2-amine;1-propan-2-ylpiperidine
CID 142245197
methoxymethane;1-propan-2-ylazepane
CID 178173420
methoxymethane;1-propan-2-ylpiperidine
CID 153352735
N,N-dimethylpropan-2-amine;methane;1-propan-2-ylpiperidine
CID 159892581

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-propan-2-ylazetidine;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The IUPAC name of 3-fluoro-3-methyl-1-propan-2-ylazetidine;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (CID 159989792) is 3-fluoro-3-methyl-1-propan-2-ylazetidine;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-fluoro-3-methyl-1-propan-2-ylazetidine;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The canonical SMILES for 3-fluoro-3-methyl-1-propan-2-ylazetidine;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is C.CC(C)N1CC(C)(F)C1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.
What is the InChIKey of 3-fluoro-3-methyl-1-propan-2-ylazetidine;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The InChIKey is OGUOEQGLCQRREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C7H14FN.C7H15N.C6H13N.CH4/c1-8(2)9-6-4-3-5-7-9;1-6(2)9-4-7(3,8)5-9;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7;/h8H,3-7H2,1-2H3;6H,4-5H2,1-3H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;1H4.
What are the key properties of 3-fluoro-3-methyl-1-propan-2-ylazetidine;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
3-fluoro-3-methyl-1-propan-2-ylazetidine;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine has a molecular weight of 486.85 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-propan-2-ylazetidine;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 159989792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).