2,2,2-trifluoroethyl N-(2,2-diethyloxan-4-yl)carbamate

C12H20F3NO3 — CID 82760710

IUPAC2,2,2-trifluoroethyl N-(2,2-diethyloxan-4-yl)carbamate
SMILESCCC1(CC)CC(NC(=O)OCC(F)(F)F)CCO1
InChIInChI=1S/C12H20F3NO3/c1-3-11(4-2)7-9(5-6-19-11)16-10(17)18-8-12(13,14)15/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyOTVXMFRUESCDLV-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.01
Rot. Bonds4

About 2,2,2-trifluoroethyl N-(2,2-diethyloxan-4-yl)carbamate

2,2,2-trifluoroethyl N-(2,2-diethyloxan-4-yl)carbamate (PubChem CID 82760710) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2,2-diethyloxan-4-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2,2-diethyloxan-4-yl)carbamate
PubChem CID82760710
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Name2,2,2-trifluoroethyl N-(2,2-diethyloxan-4-yl)carbamate
SMILESCCC1(CC)CC(NC(=O)OCC(F)(F)F)CCO1
InChIInChI=1S/C12H20F3NO3/c1-3-11(4-2)7-9(5-6-19-11)16-10(17)18-8-12(13,14)15/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyOTVXMFRUESCDLV-UHFFFAOYSA-N
XLogP3.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(2,2-diethyloxan-4-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2,2-diethyloxan-4-yl)carbamate (CID 82760710) is 2,2,2-trifluoroethyl N-(2,2-diethyloxan-4-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2,2-diethyloxan-4-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2,2-diethyloxan-4-yl)carbamate is CCC1(CC)CC(NC(=O)OCC(F)(F)F)CCO1.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2,2-diethyloxan-4-yl)carbamate?
The InChIKey is OTVXMFRUESCDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-3-11(4-2)7-9(5-6-19-11)16-10(17)18-8-12(13,14)15/h9H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2,2,2-trifluoroethyl N-(2,2-diethyloxan-4-yl)carbamate?
2,2,2-trifluoroethyl N-(2,2-diethyloxan-4-yl)carbamate has a molecular weight of 283.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(2,2-diethyloxan-4-yl)carbamate is sourced from PubChem (CID 82760710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).