1-O-(1-fluorobutyl) 3-O-methyl azetidine-1,3-dicarboxylate

C10H16FNO4 — CID 69368885

IUPAC1-O-(1-fluorobutyl) 3-O-methyl azetidine-1,3-dicarboxylate
SMILESCCCC(F)OC(=O)N1CC(C(=O)OC)C1
InChIInChI=1S/C10H16FNO4/c1-3-4-8(11)16-10(14)12-5-7(6-12)9(13)15-2/h7-8H,3-6H2,1-2H3
InChIKeyUBIXSEBCILZDQZ-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.32
Rot. Bonds4

About 1-O-(1-fluorobutyl) 3-O-methyl azetidine-1,3-dicarboxylate

1-O-(1-fluorobutyl) 3-O-methyl azetidine-1,3-dicarboxylate (PubChem CID 69368885) has the molecular formula C10H16FNO4 and a molecular weight of 233.24 g/mol. Its IUPAC name is 1-O-(1-fluorobutyl) 3-O-methyl azetidine-1,3-dicarboxylate.

Molecular Properties

Compound Name1-O-(1-fluorobutyl) 3-O-methyl azetidine-1,3-dicarboxylate
PubChem CID69368885
Molecular FormulaC10H16FNO4
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name1-O-(1-fluorobutyl) 3-O-methyl azetidine-1,3-dicarboxylate
SMILESCCCC(F)OC(=O)N1CC(C(=O)OC)C1
InChIInChI=1S/C10H16FNO4/c1-3-4-8(11)16-10(14)12-5-7(6-12)9(13)15-2/h7-8H,3-6H2,1-2H3
InChIKeyUBIXSEBCILZDQZ-UHFFFAOYSA-N
XLogP1.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-Butyl 3-methyl azetidine-1,3-dicarboxylate
CID 44607627
1-tert-Butyl 3-ethyl azetidine-1,3-dicarboxylate
CID 53485131
1-(1-Fluorobutoxycarbonyl)azetidine-3-carboxylic acid
CID 68871527
Methyl 1-boc-3-fluoroazetidine-3-carboxylate
CID 71510412
1-Tert-butyl 3-methyl 3-(fluoromethyl)azetidine-1,3-dicarboxylate
CID 135392979
3-(2,2-Dimethylpropoxycarbonyl)-3-fluoroazetidine-1-carboxylic acid
CID 138689957
1-O-tert-butyl 3-O-(fluoromethyl) 3-methylazetidine-1,3-dicarboxylate
CID 175394169
1-O-tert-butyl 3-O-ethyl 3-(trifluoromethyl)azetidine-1,3-dicarboxylate
CID 178013700
Methyl 3-[2-methylpropyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoate
CID 65173425
Methyl 2-methyl-3-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoate
CID 65173781
O1-tert-butyl O3-ethyl 3-(difluoromethyl)azetidine-1,3-dicarboxylate
CID 177926284
1-Butoxycarbonylazetidine-3-carboxylic acid
CID 54366080

Frequently Asked Questions

What is the IUPAC name of 1-O-(1-fluorobutyl) 3-O-methyl azetidine-1,3-dicarboxylate?
The IUPAC name of 1-O-(1-fluorobutyl) 3-O-methyl azetidine-1,3-dicarboxylate (CID 69368885) is 1-O-(1-fluorobutyl) 3-O-methyl azetidine-1,3-dicarboxylate.
What is the SMILES notation for 1-O-(1-fluorobutyl) 3-O-methyl azetidine-1,3-dicarboxylate?
The canonical SMILES for 1-O-(1-fluorobutyl) 3-O-methyl azetidine-1,3-dicarboxylate is CCCC(F)OC(=O)N1CC(C(=O)OC)C1.
What is the InChIKey of 1-O-(1-fluorobutyl) 3-O-methyl azetidine-1,3-dicarboxylate?
The InChIKey is UBIXSEBCILZDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO4/c1-3-4-8(11)16-10(14)12-5-7(6-12)9(13)15-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-O-(1-fluorobutyl) 3-O-methyl azetidine-1,3-dicarboxylate?
1-O-(1-fluorobutyl) 3-O-methyl azetidine-1,3-dicarboxylate has a molecular weight of 233.24 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(1-fluorobutyl) 3-O-methyl azetidine-1,3-dicarboxylate is sourced from PubChem (CID 69368885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).