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

C15H19ClFNO2 — CID 140840587

IUPAC[1-(4-chlorophenyl)-3-fluorocyclobutyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1(c2ccc(Cl)cc2)CC(F)C1
InChIInChI=1S/C15H19ClFNO2/c1-14(2,3)18-13(19)20-15(8-12(17)9-15)10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,18,19)
InChIKeySOLVZSUHHAWMOS-UHFFFAOYSA-N
MW299.77 g/mol
LogP4.19
Rot. Bonds2

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

[1-(4-chlorophenyl)-3-fluorocyclobutyl] N-tert-butylcarbamate (PubChem CID 140840587) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-fluorocyclobutyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-fluorocyclobutyl] N-tert-butylcarbamate
PubChem CID140840587
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Name[1-(4-chlorophenyl)-3-fluorocyclobutyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1(c2ccc(Cl)cc2)CC(F)C1
InChIInChI=1S/C15H19ClFNO2/c1-14(2,3)18-13(19)20-15(8-12(17)9-15)10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,18,19)
InChIKeySOLVZSUHHAWMOS-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

Analyze [1-(4-chlorophenyl)-3-fluorocyclobutyl] N-tert-butylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-3-fluorocyclobutyl] N-tert-butylcarbamate?
The IUPAC name of [1-(4-chlorophenyl)-3-fluorocyclobutyl] N-tert-butylcarbamate (CID 140840587) is [1-(4-chlorophenyl)-3-fluorocyclobutyl] N-tert-butylcarbamate.
What is the SMILES notation for [1-(4-chlorophenyl)-3-fluorocyclobutyl] N-tert-butylcarbamate?
The canonical SMILES for [1-(4-chlorophenyl)-3-fluorocyclobutyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1(c2ccc(Cl)cc2)CC(F)C1.
What is the InChIKey of [1-(4-chlorophenyl)-3-fluorocyclobutyl] N-tert-butylcarbamate?
The InChIKey is SOLVZSUHHAWMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c1-14(2,3)18-13(19)20-15(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 [1-(4-chlorophenyl)-3-fluorocyclobutyl] N-tert-butylcarbamate?
[1-(4-chlorophenyl)-3-fluorocyclobutyl] N-tert-butylcarbamate 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 [1-(4-chlorophenyl)-3-fluorocyclobutyl] N-tert-butylcarbamate is sourced from PubChem (CID 140840587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).