(1-fluoro-2-methylpropan-2-yl) N-methylcarbamate

C6H12FNO2 — CID 145054262

IUPAC(1-fluoro-2-methylpropan-2-yl) N-methylcarbamate
SMILESCNC(=O)OC(C)(C)CF
InChIInChI=1S/C6H12FNO2/c1-6(2,4-7)10-5(9)8-3/h4H2,1-3H3,(H,8,9)
InChIKeyMNQUAQYWSCUZMV-UHFFFAOYSA-N
MW149.16 g/mol
LogP1.09
Rot. Bonds2

About (1-fluoro-2-methylpropan-2-yl) N-methylcarbamate

(1-fluoro-2-methylpropan-2-yl) N-methylcarbamate (PubChem CID 145054262) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is (1-fluoro-2-methylpropan-2-yl) N-methylcarbamate.

Molecular Properties

Compound Name(1-fluoro-2-methylpropan-2-yl) N-methylcarbamate
PubChem CID145054262
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC Name(1-fluoro-2-methylpropan-2-yl) N-methylcarbamate
SMILESCNC(=O)OC(C)(C)CF
InChIInChI=1S/C6H12FNO2/c1-6(2,4-7)10-5(9)8-3/h4H2,1-3H3,(H,8,9)
InChIKeyMNQUAQYWSCUZMV-UHFFFAOYSA-N
XLogP1.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1-fluoro-2-methylpropan-2-yl) N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-fluoro-2-methylpropan-2-yl) N-methylcarbamate?
The IUPAC name of (1-fluoro-2-methylpropan-2-yl) N-methylcarbamate (CID 145054262) is (1-fluoro-2-methylpropan-2-yl) N-methylcarbamate.
What is the SMILES notation for (1-fluoro-2-methylpropan-2-yl) N-methylcarbamate?
The canonical SMILES for (1-fluoro-2-methylpropan-2-yl) N-methylcarbamate is CNC(=O)OC(C)(C)CF.
What is the InChIKey of (1-fluoro-2-methylpropan-2-yl) N-methylcarbamate?
The InChIKey is MNQUAQYWSCUZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2/c1-6(2,4-7)10-5(9)8-3/h4H2,1-3H3,(H,8,9).
What are the key properties of (1-fluoro-2-methylpropan-2-yl) N-methylcarbamate?
(1-fluoro-2-methylpropan-2-yl) N-methylcarbamate has a molecular weight of 149.16 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-2-methylpropan-2-yl) N-methylcarbamate is sourced from PubChem (CID 145054262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).