tert-butyl N-[1-(4-chlorophenyl)-3-fluorocyclobutyl]carbamate

C15H19ClFNO2 — CID 141491075

IUPACtert-butyl N-[1-(4-chlorophenyl)-3-fluorocyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(Cl)cc2)CC(F)C1
InChIInChI=1S/C15H19ClFNO2/c1-14(2,3)20-13(19)18-15(8-12(17)9-15)10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,18,19)
InChIKeySNAIIJSAXLIBJN-UHFFFAOYSA-N
MW299.77 g/mol
LogP4.19
Rot. Bonds2

About tert-butyl N-[1-(4-chlorophenyl)-3-fluorocyclobutyl]carbamate

tert-butyl N-[1-(4-chlorophenyl)-3-fluorocyclobutyl]carbamate (PubChem CID 141491075) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is tert-butyl N-[1-(4-chlorophenyl)-3-fluorocyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-chlorophenyl)-3-fluorocyclobutyl]carbamate
PubChem CID141491075
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Nametert-butyl N-[1-(4-chlorophenyl)-3-fluorocyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(Cl)cc2)CC(F)C1
InChIInChI=1S/C15H19ClFNO2/c1-14(2,3)20-13(19)18-15(8-12(17)9-15)10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,18,19)
InChIKeySNAIIJSAXLIBJN-UHFFFAOYSA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-chlorophenyl)-3-fluorocyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-chlorophenyl)-3-fluorocyclobutyl]carbamate (CID 141491075) is tert-butyl N-[1-(4-chlorophenyl)-3-fluorocyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-chlorophenyl)-3-fluorocyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-chlorophenyl)-3-fluorocyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc(Cl)cc2)CC(F)C1.
What is the InChIKey of tert-butyl N-[1-(4-chlorophenyl)-3-fluorocyclobutyl]carbamate?
The InChIKey is SNAIIJSAXLIBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c1-14(2,3)20-13(19)18-15(8-12(17)9-15)10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[1-(4-chlorophenyl)-3-fluorocyclobutyl]carbamate?
tert-butyl N-[1-(4-chlorophenyl)-3-fluorocyclobutyl]carbamate has a molecular weight of 299.77 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-chlorophenyl)-3-fluorocyclobutyl]carbamate is sourced from PubChem (CID 141491075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).