tert-butyl N-[2-(3-fluorophenyl)propan-2-yl]carbamate

C14H20FNO2 — CID 53256492

IUPACtert-butyl N-[2-(3-fluorophenyl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)c1cccc(F)c1
InChIInChI=1S/C14H20FNO2/c1-13(2,3)18-12(17)16-14(4,5)10-7-6-8-11(15)9-10/h6-9H,1-5H3,(H,16,17)
InChIKeyZIGJZZZOBRPZTI-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.59
Rot. Bonds2

About tert-butyl N-[2-(3-fluorophenyl)propan-2-yl]carbamate

tert-butyl N-[2-(3-fluorophenyl)propan-2-yl]carbamate (PubChem CID 53256492) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is tert-butyl N-[2-(3-fluorophenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-fluorophenyl)propan-2-yl]carbamate
PubChem CID53256492
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Nametert-butyl N-[2-(3-fluorophenyl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)c1cccc(F)c1
InChIInChI=1S/C14H20FNO2/c1-13(2,3)18-12(17)16-14(4,5)10-7-6-8-11(15)9-10/h6-9H,1-5H3,(H,16,17)
InChIKeyZIGJZZZOBRPZTI-UHFFFAOYSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-fluorophenyl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-fluorophenyl)propan-2-yl]carbamate (CID 53256492) is tert-butyl N-[2-(3-fluorophenyl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-fluorophenyl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-fluorophenyl)propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(C)c1cccc(F)c1.
What is the InChIKey of tert-butyl N-[2-(3-fluorophenyl)propan-2-yl]carbamate?
The InChIKey is ZIGJZZZOBRPZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-13(2,3)18-12(17)16-14(4,5)10-7-6-8-11(15)9-10/h6-9H,1-5H3,(H,16,17).
What are the key properties of tert-butyl N-[2-(3-fluorophenyl)propan-2-yl]carbamate?
tert-butyl N-[2-(3-fluorophenyl)propan-2-yl]carbamate has a molecular weight of 253.32 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-fluorophenyl)propan-2-yl]carbamate is sourced from PubChem (CID 53256492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).