2-hydroxyethyl N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)carbamate

C10H18F3NO4 — CID 79345397

IUPAC2-hydroxyethyl N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)carbamate
SMILESCCOCCCN(CC(F)(F)F)C(=O)OCCO
InChIInChI=1S/C10H18F3NO4/c1-2-17-6-3-4-14(8-10(11,12)13)9(16)18-7-5-15/h15H,2-8H2,1H3
InChIKeyBVADOTXSVHVTST-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.41
Rot. Bonds8

About 2-hydroxyethyl N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)carbamate

2-hydroxyethyl N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 79345397) has the molecular formula C10H18F3NO4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-hydroxyethyl N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)carbamate
PubChem CID79345397
Molecular FormulaC10H18F3NO4
Molecular Weight273.25 g/mol
Exact Mass273.12
IUPAC Name2-hydroxyethyl N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)carbamate
SMILESCCOCCCN(CC(F)(F)F)C(=O)OCCO
InChIInChI=1S/C10H18F3NO4/c1-2-17-6-3-4-14(8-10(11,12)13)9(16)18-7-5-15/h15H,2-8H2,1H3
InChIKeyBVADOTXSVHVTST-UHFFFAOYSA-N
XLogP1.41
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)carbamate (CID 79345397) is 2-hydroxyethyl N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)carbamate is CCOCCCN(CC(F)(F)F)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is BVADOTXSVHVTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO4/c1-2-17-6-3-4-14(8-10(11,12)13)9(16)18-7-5-15/h15H,2-8H2,1H3.
What are the key properties of 2-hydroxyethyl N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)carbamate?
2-hydroxyethyl N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 273.25 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 79345397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).