tert-butyl 3-(2,2-difluoroethyl)azetidine-1-carboxylate

C10H17F2NO2 — CID 167725727

IUPACtert-butyl 3-(2,2-difluoroethyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CC(F)F)C1
InChIInChI=1S/C10H17F2NO2/c1-10(2,3)15-9(14)13-5-7(6-13)4-8(11)12/h7-8H,4-6H2,1-3H3
InChIKeyMUFUAUOXXCCTBL-UHFFFAOYSA-N
MW221.25 g/mol
LogP2.51
Rot. Bonds2

About tert-butyl 3-(2,2-difluoroethyl)azetidine-1-carboxylate

tert-butyl 3-(2,2-difluoroethyl)azetidine-1-carboxylate (PubChem CID 167725727) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is tert-butyl 3-(2,2-difluoroethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2,2-difluoroethyl)azetidine-1-carboxylate
PubChem CID167725727
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Nametert-butyl 3-(2,2-difluoroethyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CC(F)F)C1
InChIInChI=1S/C10H17F2NO2/c1-10(2,3)15-9(14)13-5-7(6-13)4-8(11)12/h7-8H,4-6H2,1-3H3
InChIKeyMUFUAUOXXCCTBL-UHFFFAOYSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Boc-3-fluoro-3-methylazetidine
CID 55271007
Tert-butyl 3-(trifluoroacetyl)azetidine-1-carboxylate
CID 90424256
Tert-butyl 3-(difluoromethyl)azetidine-1-carboxylate
CID 58043108
Tert-butyl 3-(difluoromethyl)pyrrolidine-1-carboxylate
CID 117774488
Tert-butyl 3-(trifluoromethyl)azetidine-1-carboxylate
CID 132602940
tert-Butyl (S)-3-(difluoromethyl)pyrrolidine-1-carboxylate
CID 156493977
Tert-butyl 3-(2-amino-1-fluoroethyl)azetidine-1-carboxylate
CID 105472576
Tert-butyl 3-(2,2-difluoroacetyl)azetidine-1-carboxylate
CID 146075382
Potassium (2-(1-(tert-butoxycarbonyl)azetidin-3-yl)ethyl)trifluoroborate
CID 165604607
Tert-butyl 3-(2-isocyanatoethyl)azetidine-1-carboxylate
CID 165976074
Tert-butyl 6-(trifluoromethyl)-2-azaspiro[3.3]heptane-2-carboxylate
CID 176437432
Tert-butyl 3-[2-(trifluoromethoxy)ethyl]azetidine-1-carboxylate
CID 176438190

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2,2-difluoroethyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2,2-difluoroethyl)azetidine-1-carboxylate (CID 167725727) is tert-butyl 3-(2,2-difluoroethyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2,2-difluoroethyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2,2-difluoroethyl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(CC(F)F)C1.
What is the InChIKey of tert-butyl 3-(2,2-difluoroethyl)azetidine-1-carboxylate?
The InChIKey is MUFUAUOXXCCTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-10(2,3)15-9(14)13-5-7(6-13)4-8(11)12/h7-8H,4-6H2,1-3H3.
What are the key properties of tert-butyl 3-(2,2-difluoroethyl)azetidine-1-carboxylate?
tert-butyl 3-(2,2-difluoroethyl)azetidine-1-carboxylate has a molecular weight of 221.25 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2,2-difluoroethyl)azetidine-1-carboxylate is sourced from PubChem (CID 167725727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).