propan-2-yl 3-(difluoromethyl)azetidine-1-carboxylate

C8H13F2NO2 — CID 139305109

IUPACpropan-2-yl 3-(difluoromethyl)azetidine-1-carboxylate
SMILESCC(C)OC(=O)N1CC(C(F)F)C1
InChIInChI=1S/C8H13F2NO2/c1-5(2)13-8(12)11-3-6(4-11)7(9)10/h5-7H,3-4H2,1-2H3
InChIKeyFJGGWRQEZCAPSV-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.73
Rot. Bonds2

About propan-2-yl 3-(difluoromethyl)azetidine-1-carboxylate

propan-2-yl 3-(difluoromethyl)azetidine-1-carboxylate (PubChem CID 139305109) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is propan-2-yl 3-(difluoromethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-(difluoromethyl)azetidine-1-carboxylate
PubChem CID139305109
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Namepropan-2-yl 3-(difluoromethyl)azetidine-1-carboxylate
SMILESCC(C)OC(=O)N1CC(C(F)F)C1
InChIInChI=1S/C8H13F2NO2/c1-5(2)13-8(12)11-3-6(4-11)7(9)10/h5-7H,3-4H2,1-2H3
InChIKeyFJGGWRQEZCAPSV-UHFFFAOYSA-N
XLogP1.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(difluoromethyl)azetidine-1-carboxylate?
The IUPAC name of propan-2-yl 3-(difluoromethyl)azetidine-1-carboxylate (CID 139305109) is propan-2-yl 3-(difluoromethyl)azetidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 3-(difluoromethyl)azetidine-1-carboxylate?
The canonical SMILES for propan-2-yl 3-(difluoromethyl)azetidine-1-carboxylate is CC(C)OC(=O)N1CC(C(F)F)C1.
What is the InChIKey of propan-2-yl 3-(difluoromethyl)azetidine-1-carboxylate?
The InChIKey is FJGGWRQEZCAPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-5(2)13-8(12)11-3-6(4-11)7(9)10/h5-7H,3-4H2,1-2H3.
What are the key properties of propan-2-yl 3-(difluoromethyl)azetidine-1-carboxylate?
propan-2-yl 3-(difluoromethyl)azetidine-1-carboxylate has a molecular weight of 193.19 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(difluoromethyl)azetidine-1-carboxylate is sourced from PubChem (CID 139305109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).