tert-butyl N-[2-[(6-fluoro-3-pyridinyl)methyl]butyl]carbamate

C15H23FN2O2 — CID 134850495

IUPACtert-butyl N-[2-[(6-fluoro-3-pyridinyl)methyl]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)Cc1ccc(F)nc1
InChIInChI=1S/C15H23FN2O2/c1-5-11(8-12-6-7-13(16)17-10-12)9-18-14(19)20-15(2,3)4/h6-7,10-11H,5,8-9H2,1-4H3,(H,18,19)
InChIKeyZZOGEOJPGDNMBI-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.31
Rot. Bonds5

About tert-butyl N-[2-[(6-fluoro-3-pyridinyl)methyl]butyl]carbamate

tert-butyl N-[2-[(6-fluoro-3-pyridinyl)methyl]butyl]carbamate (PubChem CID 134850495) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is tert-butyl N-[2-[(6-fluoro-3-pyridinyl)methyl]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(6-fluoro-3-pyridinyl)methyl]butyl]carbamate
PubChem CID134850495
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Nametert-butyl N-[2-[(6-fluoro-3-pyridinyl)methyl]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)Cc1ccc(F)nc1
InChIInChI=1S/C15H23FN2O2/c1-5-11(8-12-6-7-13(16)17-10-12)9-18-14(19)20-15(2,3)4/h6-7,10-11H,5,8-9H2,1-4H3,(H,18,19)
InChIKeyZZOGEOJPGDNMBI-UHFFFAOYSA-N
XLogP3.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(6-fluoro-3-pyridinyl)methyl]butyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(6-fluoro-3-pyridinyl)methyl]butyl]carbamate (CID 134850495) is tert-butyl N-[2-[(6-fluoro-3-pyridinyl)methyl]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(6-fluoro-3-pyridinyl)methyl]butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(6-fluoro-3-pyridinyl)methyl]butyl]carbamate is CCC(CNC(=O)OC(C)(C)C)Cc1ccc(F)nc1.
What is the InChIKey of tert-butyl N-[2-[(6-fluoro-3-pyridinyl)methyl]butyl]carbamate?
The InChIKey is ZZOGEOJPGDNMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-5-11(8-12-6-7-13(16)17-10-12)9-18-14(19)20-15(2,3)4/h6-7,10-11H,5,8-9H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[2-[(6-fluoro-3-pyridinyl)methyl]butyl]carbamate?
tert-butyl N-[2-[(6-fluoro-3-pyridinyl)methyl]butyl]carbamate has a molecular weight of 282.36 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(6-fluoro-3-pyridinyl)methyl]butyl]carbamate is sourced from PubChem (CID 134850495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).