tert-butyl N-(3-amino-2-fluoropropyl)carbamate

C8H17FN2O2 — CID 105446076

IUPACtert-butyl N-(3-amino-2-fluoropropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(F)CN
InChIInChI=1S/C8H17FN2O2/c1-8(2,3)13-7(12)11-5-6(9)4-10/h6H,4-5,10H2,1-3H3,(H,11,12)
InChIKeySFZLTHKXGXQZCY-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.81
Rot. Bonds3

About tert-butyl N-(3-amino-2-fluoropropyl)carbamate

tert-butyl N-(3-amino-2-fluoropropyl)carbamate (PubChem CID 105446076) has the molecular formula C8H17FN2O2 and a molecular weight of 192.23 g/mol. Its IUPAC name is tert-butyl N-(3-amino-2-fluoropropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-amino-2-fluoropropyl)carbamate
PubChem CID105446076
Molecular FormulaC8H17FN2O2
Molecular Weight192.23 g/mol
Exact Mass192.13
IUPAC Nametert-butyl N-(3-amino-2-fluoropropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(F)CN
InChIInChI=1S/C8H17FN2O2/c1-8(2,3)13-7(12)11-5-6(9)4-10/h6H,4-5,10H2,1-3H3,(H,11,12)
InChIKeySFZLTHKXGXQZCY-UHFFFAOYSA-N
XLogP0.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-amino-2-fluoropropyl)carbamate?
The IUPAC name of tert-butyl N-(3-amino-2-fluoropropyl)carbamate (CID 105446076) is tert-butyl N-(3-amino-2-fluoropropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-amino-2-fluoropropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-amino-2-fluoropropyl)carbamate is CC(C)(C)OC(=O)NCC(F)CN.
What is the InChIKey of tert-butyl N-(3-amino-2-fluoropropyl)carbamate?
The InChIKey is SFZLTHKXGXQZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2O2/c1-8(2,3)13-7(12)11-5-6(9)4-10/h6H,4-5,10H2,1-3H3,(H,11,12).
What are the key properties of tert-butyl N-(3-amino-2-fluoropropyl)carbamate?
tert-butyl N-(3-amino-2-fluoropropyl)carbamate has a molecular weight of 192.23 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-amino-2-fluoropropyl)carbamate is sourced from PubChem (CID 105446076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).