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

C7H13F2N3O — CID 114383861

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(3-amino-2,2-difluoropropyl)-3-cyclopropylurea
SMILESNCC(F)(F)CNC(=O)NC1CC1
InChIInChI=1S/C7H13F2N3O/c8-7(9,3-10)4-11-6(13)12-5-1-2-5/h5H,1-4,10H2,(H2,11,12,13)
InChIKeyNYKBWYUXLLBKSI-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.04
Rot. Bonds4

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

1-(3-amino-2,2-difluoropropyl)-3-cyclopropylurea (PubChem CID 114383861) has the molecular formula C7H13F2N3O and a molecular weight of 193.20 g/mol. Its IUPAC name is 1-(3-amino-2,2-difluoropropyl)-3-cyclopropylurea.

Molecular Properties

Compound Name1-(3-amino-2,2-difluoropropyl)-3-cyclopropylurea
PubChem CID114383861
Molecular FormulaC7H13F2N3O
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name1-(3-amino-2,2-difluoropropyl)-3-cyclopropylurea
SMILESNCC(F)(F)CNC(=O)NC1CC1
InChIInChI=1S/C7H13F2N3O/c8-7(9,3-10)4-11-6(13)12-5-1-2-5/h5H,1-4,10H2,(H2,11,12,13)
InChIKeyNYKBWYUXLLBKSI-UHFFFAOYSA-N
XLogP0.04
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,2-difluoropropyl)-3-cyclopropylurea?
The IUPAC name of 1-(3-amino-2,2-difluoropropyl)-3-cyclopropylurea (CID 114383861) is 1-(3-amino-2,2-difluoropropyl)-3-cyclopropylurea.
What is the SMILES notation for 1-(3-amino-2,2-difluoropropyl)-3-cyclopropylurea?
The canonical SMILES for 1-(3-amino-2,2-difluoropropyl)-3-cyclopropylurea is NCC(F)(F)CNC(=O)NC1CC1.
What is the InChIKey of 1-(3-amino-2,2-difluoropropyl)-3-cyclopropylurea?
The InChIKey is NYKBWYUXLLBKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N3O/c8-7(9,3-10)4-11-6(13)12-5-1-2-5/h5H,1-4,10H2,(H2,11,12,13).
What are the key properties of 1-(3-amino-2,2-difluoropropyl)-3-cyclopropylurea?
1-(3-amino-2,2-difluoropropyl)-3-cyclopropylurea has a molecular weight of 193.20 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,2-difluoropropyl)-3-cyclopropylurea is sourced from PubChem (CID 114383861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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