2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl carbamate

C7H12F3N3O3 — CID 83210570

IUPAC2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl carbamate
SMILESNC(=O)OCCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C7H12F3N3O3/c8-7(9,10)4-12-3-5(14)13-1-2-16-6(11)15/h12H,1-4H2,(H2,11,15)(H,13,14)
InChIKeyCWRVTXFTANMLLP-UHFFFAOYSA-N
MW243.18 g/mol
LogP-0.65
Rot. Bonds6

About 2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl carbamate

2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl carbamate (PubChem CID 83210570) has the molecular formula C7H12F3N3O3 and a molecular weight of 243.18 g/mol. Its IUPAC name is 2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl carbamate
PubChem CID83210570
Molecular FormulaC7H12F3N3O3
Molecular Weight243.18 g/mol
Exact Mass243.08
IUPAC Name2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl carbamate
SMILESNC(=O)OCCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C7H12F3N3O3/c8-7(9,10)4-12-3-5(14)13-1-2-16-6(11)15/h12H,1-4H2,(H2,11,15)(H,13,14)
InChIKeyCWRVTXFTANMLLP-UHFFFAOYSA-N
XLogP-0.65
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
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-(ethylamino)acetyl]amino]ethyl carbamate
CID 83211277
N-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide
CID 113219586
N-[3-(2-methoxyethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78931967
N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595910
2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646688
2,2,2-trifluoroethyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate
CID 112683708
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924472
2-(2,2,2-trifluoroethylamino)acetamide;hydrochloride
CID 75481018
2,2,2-trifluoroacetic acid;2-[(2,2,2-trifluoroacetyl)amino]ethyl carbamate
CID 175565689
2-(2-methoxyethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 79281292
2-(2,2,2-trifluoroethylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726464
N-butan-2-yl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanamide
CID 78924288

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl carbamate?
The IUPAC name of 2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl carbamate (CID 83210570) is 2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl carbamate is NC(=O)OCCNC(=O)CNCC(F)(F)F.
What is the InChIKey of 2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl carbamate?
The InChIKey is CWRVTXFTANMLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O3/c8-7(9,10)4-12-3-5(14)13-1-2-16-6(11)15/h12H,1-4H2,(H2,11,15)(H,13,14).
What are the key properties of 2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl carbamate?
2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl carbamate has a molecular weight of 243.18 g/mol, XLogP of -0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl carbamate is sourced from PubChem (CID 83210570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).