2-aminoethyl N-ethylcarbamate;2,2,2-trifluoroacetic acid

C7H13F3N2O4 — CID 146459167

IUPAC2-aminoethyl N-ethylcarbamate;2,2,2-trifluoroacetic acid
SMILESCCNC(=O)OCCN.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2O2.C2HF3O2/c1-2-7-5(8)9-4-3-6;3-2(4,5)1(6)7/h2-4,6H2,1H3,(H,7,8);(H,6,7)
InChIKeyBKFUPDNWENTTMD-UHFFFAOYSA-N
MW246.18 g/mol
LogP0.32
Rot. Bonds3

About 2-aminoethyl N-ethylcarbamate;2,2,2-trifluoroacetic acid

2-aminoethyl N-ethylcarbamate;2,2,2-trifluoroacetic acid (PubChem CID 146459167) has the molecular formula C7H13F3N2O4 and a molecular weight of 246.18 g/mol. Its IUPAC name is 2-aminoethyl N-ethylcarbamate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-aminoethyl N-ethylcarbamate;2,2,2-trifluoroacetic acid
PubChem CID146459167
Molecular FormulaC7H13F3N2O4
Molecular Weight246.18 g/mol
Exact Mass246.08
IUPAC Name2-aminoethyl N-ethylcarbamate;2,2,2-trifluoroacetic acid
SMILESCCNC(=O)OCCN.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2O2.C2HF3O2/c1-2-7-5(8)9-4-3-6;3-2(4,5)1(6)7/h2-4,6H2,1H3,(H,7,8);(H,6,7)
InChIKeyBKFUPDNWENTTMD-UHFFFAOYSA-N
XLogP0.32
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 87485820
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CID 88519806
1-(3-aminopropyl)-3-ethylurea;2,2,2-trifluoroacetic acid
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4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane
CID 158264947
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CID 173413650
3-trimethoxysilylpropyl N-ethylcarbamate
CID 141299564
ethyl N-methylcarbamate;2,2,2-trifluoroacetic acid
CID 172727391
2,2,3,3-tetrafluoropropyl N-ethylcarbamate
CID 137320402
azane;ethyl N-ethylcarbamate
CID 88547448
N-[2-(2-aminoethoxy)ethyl]-2-bromoacetamide;2,2,2-trifluoroacetic acid
CID 154803622
2-(aziridin-1-yl)ethyl N-ethylcarbamate
CID 20801404
5-(ethylcarbamoyloxy)-2-methylidenepentanoic acid
CID 87964264

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl N-ethylcarbamate;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-aminoethyl N-ethylcarbamate;2,2,2-trifluoroacetic acid (CID 146459167) is 2-aminoethyl N-ethylcarbamate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-aminoethyl N-ethylcarbamate;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-aminoethyl N-ethylcarbamate;2,2,2-trifluoroacetic acid is CCNC(=O)OCCN.O=C(O)C(F)(F)F.
What is the InChIKey of 2-aminoethyl N-ethylcarbamate;2,2,2-trifluoroacetic acid?
The InChIKey is BKFUPDNWENTTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2.C2HF3O2/c1-2-7-5(8)9-4-3-6;3-2(4,5)1(6)7/h2-4,6H2,1H3,(H,7,8);(H,6,7).
What are the key properties of 2-aminoethyl N-ethylcarbamate;2,2,2-trifluoroacetic acid?
2-aminoethyl N-ethylcarbamate;2,2,2-trifluoroacetic acid has a molecular weight of 246.18 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl N-ethylcarbamate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146459167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).