1-(difluoromethyl)-3-ethyl-1-methylurea

C5H10F2N2O — CID 87181852

IUPAC1-(difluoromethyl)-3-ethyl-1-methylurea
SMILESCCNC(=O)N(C)C(F)F
InChIInChI=1S/C5H10F2N2O/c1-3-8-5(10)9(2)4(6)7/h4H,3H2,1-2H3,(H,8,10)
InChIKeyTUKKCJPDZNKCKQ-UHFFFAOYSA-N
MW152.14 g/mol
LogP0.87
Rot. Bonds2

About 1-(difluoromethyl)-3-ethyl-1-methylurea

1-(difluoromethyl)-3-ethyl-1-methylurea (PubChem CID 87181852) has the molecular formula C5H10F2N2O and a molecular weight of 152.14 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-ethyl-1-methylurea.

Molecular Properties

Compound Name1-(difluoromethyl)-3-ethyl-1-methylurea
PubChem CID87181852
Molecular FormulaC5H10F2N2O
Molecular Weight152.14 g/mol
Exact Mass152.08
IUPAC Name1-(difluoromethyl)-3-ethyl-1-methylurea
SMILESCCNC(=O)N(C)C(F)F
InChIInChI=1S/C5H10F2N2O/c1-3-8-5(10)9(2)4(6)7/h4H,3H2,1-2H3,(H,8,10)
InChIKeyTUKKCJPDZNKCKQ-UHFFFAOYSA-N
XLogP0.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.14
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-ethyl-1-methylurea?
The IUPAC name of 1-(difluoromethyl)-3-ethyl-1-methylurea (CID 87181852) is 1-(difluoromethyl)-3-ethyl-1-methylurea.
What is the SMILES notation for 1-(difluoromethyl)-3-ethyl-1-methylurea?
The canonical SMILES for 1-(difluoromethyl)-3-ethyl-1-methylurea is CCNC(=O)N(C)C(F)F.
What is the InChIKey of 1-(difluoromethyl)-3-ethyl-1-methylurea?
The InChIKey is TUKKCJPDZNKCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O/c1-3-8-5(10)9(2)4(6)7/h4H,3H2,1-2H3,(H,8,10).
What are the key properties of 1-(difluoromethyl)-3-ethyl-1-methylurea?
1-(difluoromethyl)-3-ethyl-1-methylurea has a molecular weight of 152.14 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-ethyl-1-methylurea is sourced from PubChem (CID 87181852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).