tert-butyl N-(fluoromethyl)carbamate

C6H12FNO2 — CID 90274250

IUPACtert-butyl N-(fluoromethyl)carbamate
SMILESCC(C)(C)OC(=O)NCF
InChIInChI=1S/C6H12FNO2/c1-6(2,3)10-5(9)8-4-7/h4H2,1-3H3,(H,8,9)
InChIKeyDJDPVIYVTNKQJF-UHFFFAOYSA-N
MW149.16 g/mol
LogP1.44
Rot. Bonds1

About tert-butyl N-(fluoromethyl)carbamate

tert-butyl N-(fluoromethyl)carbamate (PubChem CID 90274250) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is tert-butyl N-(fluoromethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(fluoromethyl)carbamate
PubChem CID90274250
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC Nametert-butyl N-(fluoromethyl)carbamate
SMILESCC(C)(C)OC(=O)NCF
InChIInChI=1S/C6H12FNO2/c1-6(2,3)10-5(9)8-4-7/h4H2,1-3H3,(H,8,9)
InChIKeyDJDPVIYVTNKQJF-UHFFFAOYSA-N
XLogP1.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(fluoromethyl)carbamate?
The IUPAC name of tert-butyl N-(fluoromethyl)carbamate (CID 90274250) is tert-butyl N-(fluoromethyl)carbamate.
What is the SMILES notation for tert-butyl N-(fluoromethyl)carbamate?
The canonical SMILES for tert-butyl N-(fluoromethyl)carbamate is CC(C)(C)OC(=O)NCF.
What is the InChIKey of tert-butyl N-(fluoromethyl)carbamate?
The InChIKey is DJDPVIYVTNKQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2/c1-6(2,3)10-5(9)8-4-7/h4H2,1-3H3,(H,8,9).
What are the key properties of tert-butyl N-(fluoromethyl)carbamate?
tert-butyl N-(fluoromethyl)carbamate has a molecular weight of 149.16 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(fluoromethyl)carbamate is sourced from PubChem (CID 90274250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).