2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)-N-methylcarbamate

C7H10F5NO3 — CID 141285830

IUPAC2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)-N-methylcarbamate
SMILESCOCN(C)C(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F5NO3/c1-13(4-15-2)5(14)16-3-6(8,9)7(10,11)12/h3-4H2,1-2H3
InChIKeyALRUKXKGCUIKSV-UHFFFAOYSA-N
MW251.15 g/mol
LogP1.86
Rot. Bonds4

About 2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)-N-methylcarbamate

2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)-N-methylcarbamate (PubChem CID 141285830) has the molecular formula C7H10F5NO3 and a molecular weight of 251.15 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)-N-methylcarbamate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)-N-methylcarbamate
PubChem CID141285830
Molecular FormulaC7H10F5NO3
Molecular Weight251.15 g/mol
Exact Mass251.06
IUPAC Name2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)-N-methylcarbamate
SMILESCOCN(C)C(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F5NO3/c1-13(4-15-2)5(14)16-3-6(8,9)7(10,11)12/h3-4H2,1-2H3
InChIKeyALRUKXKGCUIKSV-UHFFFAOYSA-N
XLogP1.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.15
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)-N-methylcarbamate?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)-N-methylcarbamate (CID 141285830) is 2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)-N-methylcarbamate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)-N-methylcarbamate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)-N-methylcarbamate is COCN(C)C(=O)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)-N-methylcarbamate?
The InChIKey is ALRUKXKGCUIKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F5NO3/c1-13(4-15-2)5(14)16-3-6(8,9)7(10,11)12/h3-4H2,1-2H3.
What are the key properties of 2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)-N-methylcarbamate?
2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)-N-methylcarbamate has a molecular weight of 251.15 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)-N-methylcarbamate is sourced from PubChem (CID 141285830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).