tert-butyl N-[(2S)-2-fluoropropyl]carbamate

C8H16FNO2 — CID 59336357

IUPACtert-butyl N-[(2S)-2-fluoropropyl]carbamate
SMILESC[C@H](F)CNC(=O)OC(C)(C)C
InChIInChI=1S/C8H16FNO2/c1-6(9)5-10-7(11)12-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)/t6-/m0/s1
InChIKeyZOYFGOBQABNODH-LURJTMIESA-N
MW177.22 g/mol
LogP1.87
Rot. Bonds2

About tert-butyl N-[(2S)-2-fluoropropyl]carbamate

tert-butyl N-[(2S)-2-fluoropropyl]carbamate (PubChem CID 59336357) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-fluoropropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-fluoropropyl]carbamate
PubChem CID59336357
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Nametert-butyl N-[(2S)-2-fluoropropyl]carbamate
SMILESC[C@H](F)CNC(=O)OC(C)(C)C
InChIInChI=1S/C8H16FNO2/c1-6(9)5-10-7(11)12-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)/t6-/m0/s1
InChIKeyZOYFGOBQABNODH-LURJTMIESA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-fluoropropyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-fluoropropyl]carbamate (CID 59336357) is tert-butyl N-[(2S)-2-fluoropropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-fluoropropyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-fluoropropyl]carbamate is C[C@H](F)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-2-fluoropropyl]carbamate?
The InChIKey is ZOYFGOBQABNODH-LURJTMIESA-N. The full InChI is InChI=1S/C8H16FNO2/c1-6(9)5-10-7(11)12-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)/t6-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-fluoropropyl]carbamate?
tert-butyl N-[(2S)-2-fluoropropyl]carbamate has a molecular weight of 177.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-fluoropropyl]carbamate is sourced from PubChem (CID 59336357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).