1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(methoxymethyl)carbamate

C8H11F6NO3 — CID 87169746

IUPAC1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(methoxymethyl)carbamate
SMILESCCN(COC)C(=O)OC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO3/c1-3-15(4-17-2)6(16)18-7(11,5(9)10)8(12,13)14/h5H,3-4H2,1-2H3
InChIKeyCXWUPMLMCBIGEI-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.54
Rot. Bonds5

About 1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(methoxymethyl)carbamate

1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(methoxymethyl)carbamate (PubChem CID 87169746) has the molecular formula C8H11F6NO3 and a molecular weight of 283.17 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(methoxymethyl)carbamate.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(methoxymethyl)carbamate
PubChem CID87169746
Molecular FormulaC8H11F6NO3
Molecular Weight283.17 g/mol
Exact Mass283.06
IUPAC Name1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(methoxymethyl)carbamate
SMILESCCN(COC)C(=O)OC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO3/c1-3-15(4-17-2)6(16)18-7(11,5(9)10)8(12,13)14/h5H,3-4H2,1-2H3
InChIKeyCXWUPMLMCBIGEI-UHFFFAOYSA-N
XLogP2.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(methoxymethyl)carbamate?
The IUPAC name of 1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(methoxymethyl)carbamate (CID 87169746) is 1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(methoxymethyl)carbamate.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(methoxymethyl)carbamate?
The canonical SMILES for 1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(methoxymethyl)carbamate is CCN(COC)C(=O)OC(F)(C(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(methoxymethyl)carbamate?
The InChIKey is CXWUPMLMCBIGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6NO3/c1-3-15(4-17-2)6(16)18-7(11,5(9)10)8(12,13)14/h5H,3-4H2,1-2H3.
What are the key properties of 1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(methoxymethyl)carbamate?
1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(methoxymethyl)carbamate has a molecular weight of 283.17 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(methoxymethyl)carbamate is sourced from PubChem (CID 87169746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).