azetidin-3-yl N-[4-(trifluoromethyl)phenyl]carbamate

C11H11F3N2O2 — CID 79338363

IUPACazetidin-3-yl N-[4-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)OC1CNC1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)7-1-3-8(4-2-7)16-10(17)18-9-5-15-6-9/h1-4,9,15H,5-6H2,(H,16,17)
InChIKeyVLCQBTUTZXNOLE-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.23
Rot. Bonds2

About azetidin-3-yl N-[4-(trifluoromethyl)phenyl]carbamate

azetidin-3-yl N-[4-(trifluoromethyl)phenyl]carbamate (PubChem CID 79338363) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is azetidin-3-yl N-[4-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Nameazetidin-3-yl N-[4-(trifluoromethyl)phenyl]carbamate
PubChem CID79338363
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Nameazetidin-3-yl N-[4-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)OC1CNC1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)7-1-3-8(4-2-7)16-10(17)18-9-5-15-6-9/h1-4,9,15H,5-6H2,(H,16,17)
InChIKeyVLCQBTUTZXNOLE-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminocyclohexyl) N-[4-(trifluoromethyl)phenyl]carbamate
CID 79458052
pyrrolidin-3-yl N-[3-(trifluoromethyl)phenyl]carbamate
CID 79337084
pyrrolidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 115565228
1-(azetidin-3-yl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
CID 66186397
piperidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 115565230
piperidin-3-ylmethyl N-[4-(trifluoromethyl)phenyl]carbamate
CID 79344499
piperidin-4-yl N-[3-(trifluoromethyl)phenyl]carbamate
CID 79337898
1-(5-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 107585253
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
2-bromoethyl N-[4-(trifluoromethyl)phenyl]carbamate
CID 103970519
N-[4-(trifluoromethyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167872368
potassium [4-(trifluoromethyl)phenyl]carbamoylazanide
CID 143489977

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl N-[4-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of azetidin-3-yl N-[4-(trifluoromethyl)phenyl]carbamate (CID 79338363) is azetidin-3-yl N-[4-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for azetidin-3-yl N-[4-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for azetidin-3-yl N-[4-(trifluoromethyl)phenyl]carbamate is O=C(Nc1ccc(C(F)(F)F)cc1)OC1CNC1.
What is the InChIKey of azetidin-3-yl N-[4-(trifluoromethyl)phenyl]carbamate?
The InChIKey is VLCQBTUTZXNOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)7-1-3-8(4-2-7)16-10(17)18-9-5-15-6-9/h1-4,9,15H,5-6H2,(H,16,17).
What are the key properties of azetidin-3-yl N-[4-(trifluoromethyl)phenyl]carbamate?
azetidin-3-yl N-[4-(trifluoromethyl)phenyl]carbamate has a molecular weight of 260.21 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl N-[4-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 79338363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).