1,1,2,2,3-pentafluoropropyl N-ethyl-N-(methoxymethyl)carbamate

C8H12F5NO3 — CID 87169678

IUPAC1,1,2,2,3-pentafluoropropyl N-ethyl-N-(methoxymethyl)carbamate
SMILESCCN(COC)C(=O)OC(F)(F)C(F)(F)CF
InChIInChI=1S/C8H12F5NO3/c1-3-14(5-16-2)6(15)17-8(12,13)7(10,11)4-9/h3-5H2,1-2H3
InChIKeyKCRHGOALWATYLY-UHFFFAOYSA-N
MW265.18 g/mol
LogP2.25
Rot. Bonds6

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

1,1,2,2,3-pentafluoropropyl N-ethyl-N-(methoxymethyl)carbamate (PubChem CID 87169678) has the molecular formula C8H12F5NO3 and a molecular weight of 265.18 g/mol. Its IUPAC name is 1,1,2,2,3-pentafluoropropyl N-ethyl-N-(methoxymethyl)carbamate.

Molecular Properties

Compound Name1,1,2,2,3-pentafluoropropyl N-ethyl-N-(methoxymethyl)carbamate
PubChem CID87169678
Molecular FormulaC8H12F5NO3
Molecular Weight265.18 g/mol
Exact Mass265.07
IUPAC Name1,1,2,2,3-pentafluoropropyl N-ethyl-N-(methoxymethyl)carbamate
SMILESCCN(COC)C(=O)OC(F)(F)C(F)(F)CF
InChIInChI=1S/C8H12F5NO3/c1-3-14(5-16-2)6(15)17-8(12,13)7(10,11)4-9/h3-5H2,1-2H3
InChIKeyKCRHGOALWATYLY-UHFFFAOYSA-N
XLogP2.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 52.25
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 1,1,2,2,3-pentafluoropropyl N-ethyl-N-(methoxymethyl)carbamate?
The IUPAC name of 1,1,2,2,3-pentafluoropropyl N-ethyl-N-(methoxymethyl)carbamate (CID 87169678) is 1,1,2,2,3-pentafluoropropyl N-ethyl-N-(methoxymethyl)carbamate.
What is the SMILES notation for 1,1,2,2,3-pentafluoropropyl N-ethyl-N-(methoxymethyl)carbamate?
The canonical SMILES for 1,1,2,2,3-pentafluoropropyl N-ethyl-N-(methoxymethyl)carbamate is CCN(COC)C(=O)OC(F)(F)C(F)(F)CF.
What is the InChIKey of 1,1,2,2,3-pentafluoropropyl N-ethyl-N-(methoxymethyl)carbamate?
The InChIKey is KCRHGOALWATYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F5NO3/c1-3-14(5-16-2)6(15)17-8(12,13)7(10,11)4-9/h3-5H2,1-2H3.
What are the key properties of 1,1,2,2,3-pentafluoropropyl N-ethyl-N-(methoxymethyl)carbamate?
1,1,2,2,3-pentafluoropropyl N-ethyl-N-(methoxymethyl)carbamate has a molecular weight of 265.18 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3-pentafluoropropyl N-ethyl-N-(methoxymethyl)carbamate is sourced from PubChem (CID 87169678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).