benzyl N-[4-(3-fluorooxetan-3-yl)phenyl]carbamate

C17H16FNO3 — CID 138990959

IUPACbenzyl N-[4-(3-fluorooxetan-3-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(C2(F)COC2)cc1)OCc1ccccc1
InChIInChI=1S/C17H16FNO3/c18-17(11-21-12-17)14-6-8-15(9-7-14)19-16(20)22-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,20)
InChIKeyIZNCCIOAJVKELV-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.63
Rot. Bonds4

About benzyl N-[4-(3-fluorooxetan-3-yl)phenyl]carbamate

benzyl N-[4-(3-fluorooxetan-3-yl)phenyl]carbamate (PubChem CID 138990959) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is benzyl N-[4-(3-fluorooxetan-3-yl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(3-fluorooxetan-3-yl)phenyl]carbamate
PubChem CID138990959
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Namebenzyl N-[4-(3-fluorooxetan-3-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(C2(F)COC2)cc1)OCc1ccccc1
InChIInChI=1S/C17H16FNO3/c18-17(11-21-12-17)14-6-8-15(9-7-14)19-16(20)22-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,20)
InChIKeyIZNCCIOAJVKELV-UHFFFAOYSA-N
XLogP3.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(3-fluorooxetan-3-yl)phenyl]carbamate?
The IUPAC name of benzyl N-[4-(3-fluorooxetan-3-yl)phenyl]carbamate (CID 138990959) is benzyl N-[4-(3-fluorooxetan-3-yl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(3-fluorooxetan-3-yl)phenyl]carbamate?
The canonical SMILES for benzyl N-[4-(3-fluorooxetan-3-yl)phenyl]carbamate is O=C(Nc1ccc(C2(F)COC2)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-(3-fluorooxetan-3-yl)phenyl]carbamate?
The InChIKey is IZNCCIOAJVKELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c18-17(11-21-12-17)14-6-8-15(9-7-14)19-16(20)22-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,20).
What are the key properties of benzyl N-[4-(3-fluorooxetan-3-yl)phenyl]carbamate?
benzyl N-[4-(3-fluorooxetan-3-yl)phenyl]carbamate has a molecular weight of 301.32 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(3-fluorooxetan-3-yl)phenyl]carbamate is sourced from PubChem (CID 138990959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).