1-(3,3-difluoropent-4-en-2-yl)-3-ethylurea

C8H14F2N2O — CID 175926188

IUPAC1-(3,3-difluoropent-4-en-2-yl)-3-ethylurea
SMILESC=CC(F)(F)C(C)NC(=O)NCC
InChIInChI=1S/C8H14F2N2O/c1-4-8(9,10)6(3)12-7(13)11-5-2/h4,6H,1,5H2,2-3H3,(H2,11,12,13)
InChIKeyVIJZGLIWDONIBV-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.52
Rot. Bonds4

About 1-(3,3-difluoropent-4-en-2-yl)-3-ethylurea

1-(3,3-difluoropent-4-en-2-yl)-3-ethylurea (PubChem CID 175926188) has the molecular formula C8H14F2N2O and a molecular weight of 192.21 g/mol. Its IUPAC name is 1-(3,3-difluoropent-4-en-2-yl)-3-ethylurea.

Molecular Properties

Compound Name1-(3,3-difluoropent-4-en-2-yl)-3-ethylurea
PubChem CID175926188
Molecular FormulaC8H14F2N2O
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name1-(3,3-difluoropent-4-en-2-yl)-3-ethylurea
SMILESC=CC(F)(F)C(C)NC(=O)NCC
InChIInChI=1S/C8H14F2N2O/c1-4-8(9,10)6(3)12-7(13)11-5-2/h4,6H,1,5H2,2-3H3,(H2,11,12,13)
InChIKeyVIJZGLIWDONIBV-UHFFFAOYSA-N
XLogP1.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropent-4-en-2-yl)-3-ethylurea?
The IUPAC name of 1-(3,3-difluoropent-4-en-2-yl)-3-ethylurea (CID 175926188) is 1-(3,3-difluoropent-4-en-2-yl)-3-ethylurea.
What is the SMILES notation for 1-(3,3-difluoropent-4-en-2-yl)-3-ethylurea?
The canonical SMILES for 1-(3,3-difluoropent-4-en-2-yl)-3-ethylurea is C=CC(F)(F)C(C)NC(=O)NCC.
What is the InChIKey of 1-(3,3-difluoropent-4-en-2-yl)-3-ethylurea?
The InChIKey is VIJZGLIWDONIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O/c1-4-8(9,10)6(3)12-7(13)11-5-2/h4,6H,1,5H2,2-3H3,(H2,11,12,13).
What are the key properties of 1-(3,3-difluoropent-4-en-2-yl)-3-ethylurea?
1-(3,3-difluoropent-4-en-2-yl)-3-ethylurea has a molecular weight of 192.21 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropent-4-en-2-yl)-3-ethylurea is sourced from PubChem (CID 175926188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).