1-(2,2-difluoroethyl)-3-(2,2-dimethylcyclopropyl)urea

C8H14F2N2O — CID 130747154

IUPAC1-(2,2-difluoroethyl)-3-(2,2-dimethylcyclopropyl)urea
SMILESCC1(C)CC1NC(=O)NCC(F)F
InChIInChI=1S/C8H14F2N2O/c1-8(2)3-5(8)12-7(13)11-4-6(9)10/h5-6H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyCUDVBIRPIKFZTM-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.35
Rot. Bonds3

About 1-(2,2-difluoroethyl)-3-(2,2-dimethylcyclopropyl)urea

1-(2,2-difluoroethyl)-3-(2,2-dimethylcyclopropyl)urea (PubChem CID 130747154) has the molecular formula C8H14F2N2O and a molecular weight of 192.21 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-(2,2-dimethylcyclopropyl)urea.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-(2,2-dimethylcyclopropyl)urea
PubChem CID130747154
Molecular FormulaC8H14F2N2O
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name1-(2,2-difluoroethyl)-3-(2,2-dimethylcyclopropyl)urea
SMILESCC1(C)CC1NC(=O)NCC(F)F
InChIInChI=1S/C8H14F2N2O/c1-8(2)3-5(8)12-7(13)11-4-6(9)10/h5-6H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyCUDVBIRPIKFZTM-UHFFFAOYSA-N
XLogP1.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-(2,2-dimethylcyclopropyl)urea?
The IUPAC name of 1-(2,2-difluoroethyl)-3-(2,2-dimethylcyclopropyl)urea (CID 130747154) is 1-(2,2-difluoroethyl)-3-(2,2-dimethylcyclopropyl)urea.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-(2,2-dimethylcyclopropyl)urea?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-(2,2-dimethylcyclopropyl)urea is CC1(C)CC1NC(=O)NCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-(2,2-dimethylcyclopropyl)urea?
The InChIKey is CUDVBIRPIKFZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O/c1-8(2)3-5(8)12-7(13)11-4-6(9)10/h5-6H,3-4H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-(2,2-difluoroethyl)-3-(2,2-dimethylcyclopropyl)urea?
1-(2,2-difluoroethyl)-3-(2,2-dimethylcyclopropyl)urea has a molecular weight of 192.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-(2,2-dimethylcyclopropyl)urea is sourced from PubChem (CID 130747154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).