ethane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate

C10H22F3NO2 — CID 142957495

IUPACethane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate
SMILESCC.CC.CNC(=O)OC(C)(C)C(F)(F)F
InChIInChI=1S/C6H10F3NO2.2C2H6/c1-5(2,6(7,8)9)12-4(11)10-3;2*1-2/h1-3H3,(H,10,11);2*1-2H3
InChIKeyBMNXZJLSWQGVJJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.74
Rot. Bonds1

About ethane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate

ethane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate (PubChem CID 142957495) has the molecular formula C10H22F3NO2 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate.

Molecular Properties

Compound Nameethane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate
PubChem CID142957495
Molecular FormulaC10H22F3NO2
Molecular Weight245.28 g/mol
Exact Mass245.16
IUPAC Nameethane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate
SMILESCC.CC.CNC(=O)OC(C)(C)C(F)(F)F
InChIInChI=1S/C6H10F3NO2.2C2H6/c1-5(2,6(7,8)9)12-4(11)10-3;2*1-2/h1-3H3,(H,10,11);2*1-2H3
InChIKeyBMNXZJLSWQGVJJ-UHFFFAOYSA-N
XLogP3.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;(1,1,1-trifluoro-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 ethane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate?
The IUPAC name of ethane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate (CID 142957495) is ethane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate.
What is the SMILES notation for ethane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate?
The canonical SMILES for ethane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate is CC.CC.CNC(=O)OC(C)(C)C(F)(F)F.
What is the InChIKey of ethane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate?
The InChIKey is BMNXZJLSWQGVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2.2C2H6/c1-5(2,6(7,8)9)12-4(11)10-3;2*1-2/h1-3H3,(H,10,11);2*1-2H3.
What are the key properties of ethane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate?
ethane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate has a molecular weight of 245.28 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate is sourced from PubChem (CID 142957495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).