ethylurea;2,2,2-trifluoroacetic acid

C5H9F3N2O3 — CID 172705975

IUPACethylurea;2,2,2-trifluoroacetic acid
SMILESCCNC(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C3H8N2O.C2HF3O2/c1-2-5-3(4)6;3-2(4,5)1(6)7/h2H2,1H3,(H3,4,5,6);(H,6,7)
InChIKeyDPAVXHBHWQDUHD-UHFFFAOYSA-N
MW202.13 g/mol
LogP0.31
Rot. Bonds1

About ethylurea;2,2,2-trifluoroacetic acid

ethylurea;2,2,2-trifluoroacetic acid (PubChem CID 172705975) has the molecular formula C5H9F3N2O3 and a molecular weight of 202.13 g/mol. Its IUPAC name is ethylurea;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameethylurea;2,2,2-trifluoroacetic acid
PubChem CID172705975
Molecular FormulaC5H9F3N2O3
Molecular Weight202.13 g/mol
Exact Mass202.06
IUPAC Nameethylurea;2,2,2-trifluoroacetic acid
SMILESCCNC(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C3H8N2O.C2HF3O2/c1-2-5-3(4)6;3-2(4,5)1(6)7/h2H2,1H3,(H3,4,5,6);(H,6,7)
InChIKeyDPAVXHBHWQDUHD-UHFFFAOYSA-N
XLogP0.31
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethylurea;2,2,2-trifluoroacetic acid?
The IUPAC name of ethylurea;2,2,2-trifluoroacetic acid (CID 172705975) is ethylurea;2,2,2-trifluoroacetic acid.
What is the SMILES notation for ethylurea;2,2,2-trifluoroacetic acid?
The canonical SMILES for ethylurea;2,2,2-trifluoroacetic acid is CCNC(N)=O.O=C(O)C(F)(F)F.
What is the InChIKey of ethylurea;2,2,2-trifluoroacetic acid?
The InChIKey is DPAVXHBHWQDUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O.C2HF3O2/c1-2-5-3(4)6;3-2(4,5)1(6)7/h2H2,1H3,(H3,4,5,6);(H,6,7).
What are the key properties of ethylurea;2,2,2-trifluoroacetic acid?
ethylurea;2,2,2-trifluoroacetic acid has a molecular weight of 202.13 g/mol, XLogP of 0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylurea;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172705975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).