1-(2,2-difluoropropyl)-3-methylurea;ethane

C7H16F2N2O — CID 144988710

IUPAC1-(2,2-difluoropropyl)-3-methylurea;ethane
SMILESCC.CNC(=O)NCC(C)(F)F
InChIInChI=1S/C5H10F2N2O.C2H6/c1-5(6,7)3-9-4(10)8-2;1-2/h3H2,1-2H3,(H2,8,9,10);1-2H3
InChIKeyFWGZONOKYLMCIX-UHFFFAOYSA-N
MW182.21 g/mol
LogP1.60
Rot. Bonds2

About 1-(2,2-difluoropropyl)-3-methylurea;ethane

1-(2,2-difluoropropyl)-3-methylurea;ethane (PubChem CID 144988710) has the molecular formula C7H16F2N2O and a molecular weight of 182.21 g/mol. Its IUPAC name is 1-(2,2-difluoropropyl)-3-methylurea;ethane.

Molecular Properties

Compound Name1-(2,2-difluoropropyl)-3-methylurea;ethane
PubChem CID144988710
Molecular FormulaC7H16F2N2O
Molecular Weight182.21 g/mol
Exact Mass182.12
IUPAC Name1-(2,2-difluoropropyl)-3-methylurea;ethane
SMILESCC.CNC(=O)NCC(C)(F)F
InChIInChI=1S/C5H10F2N2O.C2H6/c1-5(6,7)3-9-4(10)8-2;1-2/h3H2,1-2H3,(H2,8,9,10);1-2H3
InChIKeyFWGZONOKYLMCIX-UHFFFAOYSA-N
XLogP1.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropyl)-3-methylurea;ethane?
The IUPAC name of 1-(2,2-difluoropropyl)-3-methylurea;ethane (CID 144988710) is 1-(2,2-difluoropropyl)-3-methylurea;ethane.
What is the SMILES notation for 1-(2,2-difluoropropyl)-3-methylurea;ethane?
The canonical SMILES for 1-(2,2-difluoropropyl)-3-methylurea;ethane is CC.CNC(=O)NCC(C)(F)F.
What is the InChIKey of 1-(2,2-difluoropropyl)-3-methylurea;ethane?
The InChIKey is FWGZONOKYLMCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O.C2H6/c1-5(6,7)3-9-4(10)8-2;1-2/h3H2,1-2H3,(H2,8,9,10);1-2H3.
What are the key properties of 1-(2,2-difluoropropyl)-3-methylurea;ethane?
1-(2,2-difluoropropyl)-3-methylurea;ethane has a molecular weight of 182.21 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropyl)-3-methylurea;ethane is sourced from PubChem (CID 144988710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).