2,2,2-trifluoroethyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate

C9H14F3NO4 — CID 103840652

IUPAC2,2,2-trifluoroethyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate
SMILESCC1(C)OCC(CNC(=O)OCC(F)(F)F)O1
InChIInChI=1S/C9H14F3NO4/c1-8(2)16-4-6(17-8)3-13-7(14)15-5-9(10,11)12/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyZLKNPPMLOHBSRD-UHFFFAOYSA-N
MW257.21 g/mol
LogP1.43
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate

2,2,2-trifluoroethyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate (PubChem CID 103840652) has the molecular formula C9H14F3NO4 and a molecular weight of 257.21 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate
PubChem CID103840652
Molecular FormulaC9H14F3NO4
Molecular Weight257.21 g/mol
Exact Mass257.09
IUPAC Name2,2,2-trifluoroethyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate
SMILESCC1(C)OCC(CNC(=O)OCC(F)(F)F)O1
InChIInChI=1S/C9H14F3NO4/c1-8(2)16-4-6(17-8)3-13-7(14)15-5-9(10,11)12/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyZLKNPPMLOHBSRD-UHFFFAOYSA-N
XLogP1.43
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate (CID 103840652) is 2,2,2-trifluoroethyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate is CC1(C)OCC(CNC(=O)OCC(F)(F)F)O1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate?
The InChIKey is ZLKNPPMLOHBSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO4/c1-8(2)16-4-6(17-8)3-13-7(14)15-5-9(10,11)12/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2,2,2-trifluoroethyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate?
2,2,2-trifluoroethyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate has a molecular weight of 257.21 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate is sourced from PubChem (CID 103840652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).