1-amino-3-(2,2-difluoropropyl)urea

C4H9F2N3O — CID 164654621

IUPAC1-amino-3-(2,2-difluoropropyl)urea
SMILESCC(F)(F)CNC(=O)NN
InChIInChI=1S/C4H9F2N3O/c1-4(5,6)2-8-3(10)9-7/h2,7H2,1H3,(H2,8,9,10)
InChIKeyYGBBMGSTQCJTPI-UHFFFAOYSA-N
MW153.13 g/mol
LogP-0.19
Rot. Bonds2

About 1-amino-3-(2,2-difluoropropyl)urea

1-amino-3-(2,2-difluoropropyl)urea (PubChem CID 164654621) has the molecular formula C4H9F2N3O and a molecular weight of 153.13 g/mol. Its IUPAC name is 1-amino-3-(2,2-difluoropropyl)urea.

Molecular Properties

Compound Name1-amino-3-(2,2-difluoropropyl)urea
PubChem CID164654621
Molecular FormulaC4H9F2N3O
Molecular Weight153.13 g/mol
Exact Mass153.07
IUPAC Name1-amino-3-(2,2-difluoropropyl)urea
SMILESCC(F)(F)CNC(=O)NN
InChIInChI=1S/C4H9F2N3O/c1-4(5,6)2-8-3(10)9-7/h2,7H2,1H3,(H2,8,9,10)
InChIKeyYGBBMGSTQCJTPI-UHFFFAOYSA-N
XLogP-0.19
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,2-difluoropropyl)urea?
The IUPAC name of 1-amino-3-(2,2-difluoropropyl)urea (CID 164654621) is 1-amino-3-(2,2-difluoropropyl)urea.
What is the SMILES notation for 1-amino-3-(2,2-difluoropropyl)urea?
The canonical SMILES for 1-amino-3-(2,2-difluoropropyl)urea is CC(F)(F)CNC(=O)NN.
What is the InChIKey of 1-amino-3-(2,2-difluoropropyl)urea?
The InChIKey is YGBBMGSTQCJTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2N3O/c1-4(5,6)2-8-3(10)9-7/h2,7H2,1H3,(H2,8,9,10).
What are the key properties of 1-amino-3-(2,2-difluoropropyl)urea?
1-amino-3-(2,2-difluoropropyl)urea has a molecular weight of 153.13 g/mol, XLogP of -0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,2-difluoropropyl)urea is sourced from PubChem (CID 164654621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).