1-tert-butyl-3-(2,2-difluoropropyl)urea

C8H16F2N2O — CID 87527292

IUPAC1-tert-butyl-3-(2,2-difluoropropyl)urea
SMILESCC(F)(F)CNC(=O)NC(C)(C)C
InChIInChI=1S/C8H16F2N2O/c1-7(2,3)12-6(13)11-5-8(4,9)10/h5H2,1-4H3,(H2,11,12,13)
InChIKeyPEAZIODASKOJIL-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.74
Rot. Bonds2

About 1-tert-butyl-3-(2,2-difluoropropyl)urea

1-tert-butyl-3-(2,2-difluoropropyl)urea (PubChem CID 87527292) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is 1-tert-butyl-3-(2,2-difluoropropyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(2,2-difluoropropyl)urea
PubChem CID87527292
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC Name1-tert-butyl-3-(2,2-difluoropropyl)urea
SMILESCC(F)(F)CNC(=O)NC(C)(C)C
InChIInChI=1S/C8H16F2N2O/c1-7(2,3)12-6(13)11-5-8(4,9)10/h5H2,1-4H3,(H2,11,12,13)
InChIKeyPEAZIODASKOJIL-UHFFFAOYSA-N
XLogP1.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2,2-difluoropropyl)urea?
The IUPAC name of 1-tert-butyl-3-(2,2-difluoropropyl)urea (CID 87527292) is 1-tert-butyl-3-(2,2-difluoropropyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(2,2-difluoropropyl)urea?
The canonical SMILES for 1-tert-butyl-3-(2,2-difluoropropyl)urea is CC(F)(F)CNC(=O)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-(2,2-difluoropropyl)urea?
The InChIKey is PEAZIODASKOJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c1-7(2,3)12-6(13)11-5-8(4,9)10/h5H2,1-4H3,(H2,11,12,13).
What are the key properties of 1-tert-butyl-3-(2,2-difluoropropyl)urea?
1-tert-butyl-3-(2,2-difluoropropyl)urea has a molecular weight of 194.22 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2,2-difluoropropyl)urea is sourced from PubChem (CID 87527292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).