1-(2,2-difluoropropyl)-1-methylurea

C5H10F2N2O — CID 118626521

IUPAC1-(2,2-difluoropropyl)-1-methylurea
SMILESCN(CC(C)(F)F)C(N)=O
InChIInChI=1S/C5H10F2N2O/c1-5(6,7)3-9(2)4(8)10/h3H2,1-2H3,(H2,8,10)
InChIKeyAPZQFQHOKKLVQT-UHFFFAOYSA-N
MW152.14 g/mol
LogP0.65
Rot. Bonds2

About 1-(2,2-difluoropropyl)-1-methylurea

1-(2,2-difluoropropyl)-1-methylurea (PubChem CID 118626521) has the molecular formula C5H10F2N2O and a molecular weight of 152.14 g/mol. Its IUPAC name is 1-(2,2-difluoropropyl)-1-methylurea.

Molecular Properties

Compound Name1-(2,2-difluoropropyl)-1-methylurea
PubChem CID118626521
Molecular FormulaC5H10F2N2O
Molecular Weight152.14 g/mol
Exact Mass152.08
IUPAC Name1-(2,2-difluoropropyl)-1-methylurea
SMILESCN(CC(C)(F)F)C(N)=O
InChIInChI=1S/C5H10F2N2O/c1-5(6,7)3-9(2)4(8)10/h3H2,1-2H3,(H2,8,10)
InChIKeyAPZQFQHOKKLVQT-UHFFFAOYSA-N
XLogP0.65
TPSA46.33 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 ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropyl)-1-methylurea?
The IUPAC name of 1-(2,2-difluoropropyl)-1-methylurea (CID 118626521) is 1-(2,2-difluoropropyl)-1-methylurea.
What is the SMILES notation for 1-(2,2-difluoropropyl)-1-methylurea?
The canonical SMILES for 1-(2,2-difluoropropyl)-1-methylurea is CN(CC(C)(F)F)C(N)=O.
What is the InChIKey of 1-(2,2-difluoropropyl)-1-methylurea?
The InChIKey is APZQFQHOKKLVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O/c1-5(6,7)3-9(2)4(8)10/h3H2,1-2H3,(H2,8,10).
What are the key properties of 1-(2,2-difluoropropyl)-1-methylurea?
1-(2,2-difluoropropyl)-1-methylurea has a molecular weight of 152.14 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropyl)-1-methylurea is sourced from PubChem (CID 118626521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).