(1,1-difluoro-2-methylpropan-2-yl) N-ethylcarbamate

C7H13F2NO2 — CID 89382175

IUPAC(1,1-difluoro-2-methylpropan-2-yl) N-ethylcarbamate
SMILESCCNC(=O)OC(C)(C)C(F)F
InChIInChI=1S/C7H13F2NO2/c1-4-10-6(11)12-7(2,3)5(8)9/h5H,4H2,1-3H3,(H,10,11)
InChIKeyADUBNCPTKVLUQZ-UHFFFAOYSA-N
MW181.18 g/mol
LogP1.78
Rot. Bonds3

About (1,1-difluoro-2-methylpropan-2-yl) N-ethylcarbamate

(1,1-difluoro-2-methylpropan-2-yl) N-ethylcarbamate (PubChem CID 89382175) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is (1,1-difluoro-2-methylpropan-2-yl) N-ethylcarbamate.

Molecular Properties

Compound Name(1,1-difluoro-2-methylpropan-2-yl) N-ethylcarbamate
PubChem CID89382175
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC Name(1,1-difluoro-2-methylpropan-2-yl) N-ethylcarbamate
SMILESCCNC(=O)OC(C)(C)C(F)F
InChIInChI=1S/C7H13F2NO2/c1-4-10-6(11)12-7(2,3)5(8)9/h5H,4H2,1-3H3,(H,10,11)
InChIKeyADUBNCPTKVLUQZ-UHFFFAOYSA-N
XLogP1.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-2-methylpropan-2-yl) N-ethylcarbamate?
The IUPAC name of (1,1-difluoro-2-methylpropan-2-yl) N-ethylcarbamate (CID 89382175) is (1,1-difluoro-2-methylpropan-2-yl) N-ethylcarbamate.
What is the SMILES notation for (1,1-difluoro-2-methylpropan-2-yl) N-ethylcarbamate?
The canonical SMILES for (1,1-difluoro-2-methylpropan-2-yl) N-ethylcarbamate is CCNC(=O)OC(C)(C)C(F)F.
What is the InChIKey of (1,1-difluoro-2-methylpropan-2-yl) N-ethylcarbamate?
The InChIKey is ADUBNCPTKVLUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2/c1-4-10-6(11)12-7(2,3)5(8)9/h5H,4H2,1-3H3,(H,10,11).
What are the key properties of (1,1-difluoro-2-methylpropan-2-yl) N-ethylcarbamate?
(1,1-difluoro-2-methylpropan-2-yl) N-ethylcarbamate has a molecular weight of 181.18 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-2-methylpropan-2-yl) N-ethylcarbamate is sourced from PubChem (CID 89382175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).