2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl carbamate

C7H11F3N2O4 — CID 175081117

IUPAC2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl carbamate
SMILESNC(=O)OCCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O4/c8-7(9,10)5(13)12-1-2-15-3-4-16-6(11)14/h1-4H2,(H2,11,14)(H,12,13)
InChIKeyXUVVEVWVYNSKPL-UHFFFAOYSA-N
MW244.17 g/mol
LogP-0.22
Rot. Bonds6

About 2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl carbamate

2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl carbamate (PubChem CID 175081117) has the molecular formula C7H11F3N2O4 and a molecular weight of 244.17 g/mol. Its IUPAC name is 2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl carbamate.

Molecular Properties

Compound Name2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl carbamate
PubChem CID175081117
Molecular FormulaC7H11F3N2O4
Molecular Weight244.17 g/mol
Exact Mass244.07
IUPAC Name2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl carbamate
SMILESNC(=O)OCCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O4/c8-7(9,10)5(13)12-1-2-15-3-4-16-6(11)14/h1-4H2,(H2,11,14)(H,12,13)
InChIKeyXUVVEVWVYNSKPL-UHFFFAOYSA-N
XLogP-0.22
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoroacetic acid;2-[(2,2,2-trifluoroacetyl)amino]ethyl carbamate
CID 175565689
2,2,2-trifluoro-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 86639757
N-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide;hydrochloride
CID 156792788
bis(N,N-diethylethanamine);2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethyl dihydrogen phosphate
CID 171931035
2-[(2-bromo-2-methylpropanoyl)amino]ethyl carbamate
CID 114329061
2,2,2-trifluoro-N-[2-[2-[2-[(4-hydroxyphenyl)sulfonylamino]ethoxy]ethoxy]ethyl]acetamide
CID 90041748
2-carbamothioyl-2-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentanamide
CID 63828492
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl carbamate
CID 118597467
6-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylhexanamide;N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
CID 157062468
2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl carbamate
CID 83209558
2-[(2-amino-2-methylbutanoyl)amino]ethyl carbamate
CID 83211882
N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide
CID 130756999

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl carbamate?
The IUPAC name of 2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl carbamate (CID 175081117) is 2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl carbamate.
What is the SMILES notation for 2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl carbamate?
The canonical SMILES for 2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl carbamate is NC(=O)OCCOCCNC(=O)C(F)(F)F.
What is the InChIKey of 2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl carbamate?
The InChIKey is XUVVEVWVYNSKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O4/c8-7(9,10)5(13)12-1-2-15-3-4-16-6(11)14/h1-4H2,(H2,11,14)(H,12,13).
What are the key properties of 2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl carbamate?
2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl carbamate has a molecular weight of 244.17 g/mol, XLogP of -0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl carbamate is sourced from PubChem (CID 175081117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).