2-methylbutan-2-yl 3-(fluoromethyl)azetidine-1-carboxylate

C10H18FNO2 — CID 123203442

IUPAC2-methylbutan-2-yl 3-(fluoromethyl)azetidine-1-carboxylate
SMILESCCC(C)(C)OC(=O)N1CC(CF)C1
InChIInChI=1S/C10H18FNO2/c1-4-10(2,3)14-9(13)12-6-8(5-11)7-12/h8H,4-7H2,1-3H3
InChIKeyXXYOWJFETVBFIG-UHFFFAOYSA-N
MW203.26 g/mol
LogP2.21
Rot. Bonds3

About 2-methylbutan-2-yl 3-(fluoromethyl)azetidine-1-carboxylate

2-methylbutan-2-yl 3-(fluoromethyl)azetidine-1-carboxylate (PubChem CID 123203442) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-methylbutan-2-yl 3-(fluoromethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Name2-methylbutan-2-yl 3-(fluoromethyl)azetidine-1-carboxylate
PubChem CID123203442
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name2-methylbutan-2-yl 3-(fluoromethyl)azetidine-1-carboxylate
SMILESCCC(C)(C)OC(=O)N1CC(CF)C1
InChIInChI=1S/C10H18FNO2/c1-4-10(2,3)14-9(13)12-6-8(5-11)7-12/h8H,4-7H2,1-3H3
InChIKeyXXYOWJFETVBFIG-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl 3-(fluoromethyl)azetidine-1-carboxylate?
The IUPAC name of 2-methylbutan-2-yl 3-(fluoromethyl)azetidine-1-carboxylate (CID 123203442) is 2-methylbutan-2-yl 3-(fluoromethyl)azetidine-1-carboxylate.
What is the SMILES notation for 2-methylbutan-2-yl 3-(fluoromethyl)azetidine-1-carboxylate?
The canonical SMILES for 2-methylbutan-2-yl 3-(fluoromethyl)azetidine-1-carboxylate is CCC(C)(C)OC(=O)N1CC(CF)C1.
What is the InChIKey of 2-methylbutan-2-yl 3-(fluoromethyl)azetidine-1-carboxylate?
The InChIKey is XXYOWJFETVBFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-4-10(2,3)14-9(13)12-6-8(5-11)7-12/h8H,4-7H2,1-3H3.
What are the key properties of 2-methylbutan-2-yl 3-(fluoromethyl)azetidine-1-carboxylate?
2-methylbutan-2-yl 3-(fluoromethyl)azetidine-1-carboxylate has a molecular weight of 203.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 3-(fluoromethyl)azetidine-1-carboxylate is sourced from PubChem (CID 123203442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).