(3-fluoro-2,3-dimethylbutan-2-yl) N-methylcarbamate

C8H16FNO2 — CID 144609586

IUPAC(3-fluoro-2,3-dimethylbutan-2-yl) N-methylcarbamate
SMILESCNC(=O)OC(C)(C)C(C)(C)F
InChIInChI=1S/C8H16FNO2/c1-7(2,9)8(3,4)12-6(11)10-5/h1-5H3,(H,10,11)
InChIKeyDWWZCCNPZZMLBW-UHFFFAOYSA-N
MW177.22 g/mol
LogP1.87
Rot. Bonds2

About (3-fluoro-2,3-dimethylbutan-2-yl) N-methylcarbamate

(3-fluoro-2,3-dimethylbutan-2-yl) N-methylcarbamate (PubChem CID 144609586) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is (3-fluoro-2,3-dimethylbutan-2-yl) N-methylcarbamate.

Molecular Properties

Compound Name(3-fluoro-2,3-dimethylbutan-2-yl) N-methylcarbamate
PubChem CID144609586
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Name(3-fluoro-2,3-dimethylbutan-2-yl) N-methylcarbamate
SMILESCNC(=O)OC(C)(C)C(C)(C)F
InChIInChI=1S/C8H16FNO2/c1-7(2,9)8(3,4)12-6(11)10-5/h1-5H3,(H,10,11)
InChIKeyDWWZCCNPZZMLBW-UHFFFAOYSA-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

Analyze (3-fluoro-2,3-dimethylbutan-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 (3-fluoro-2,3-dimethylbutan-2-yl) N-methylcarbamate?
The IUPAC name of (3-fluoro-2,3-dimethylbutan-2-yl) N-methylcarbamate (CID 144609586) is (3-fluoro-2,3-dimethylbutan-2-yl) N-methylcarbamate.
What is the SMILES notation for (3-fluoro-2,3-dimethylbutan-2-yl) N-methylcarbamate?
The canonical SMILES for (3-fluoro-2,3-dimethylbutan-2-yl) N-methylcarbamate is CNC(=O)OC(C)(C)C(C)(C)F.
What is the InChIKey of (3-fluoro-2,3-dimethylbutan-2-yl) N-methylcarbamate?
The InChIKey is DWWZCCNPZZMLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2/c1-7(2,9)8(3,4)12-6(11)10-5/h1-5H3,(H,10,11).
What are the key properties of (3-fluoro-2,3-dimethylbutan-2-yl) N-methylcarbamate?
(3-fluoro-2,3-dimethylbutan-2-yl) N-methylcarbamate 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 (3-fluoro-2,3-dimethylbutan-2-yl) N-methylcarbamate is sourced from PubChem (CID 144609586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).