2,2-difluoropropylurea

C4H8F2N2O — CID 123994656

IUPAC2,2-difluoropropylurea
SMILESCC(F)(F)CNC(N)=O
InChIInChI=1S/C4H8F2N2O/c1-4(5,6)2-8-3(7)9/h2H2,1H3,(H3,7,8,9)
InChIKeyUCMUZAHXMLQXAZ-UHFFFAOYSA-N
MW138.12 g/mol
LogP0.31
Rot. Bonds2

About 2,2-difluoropropylurea

2,2-difluoropropylurea (PubChem CID 123994656) has the molecular formula C4H8F2N2O and a molecular weight of 138.12 g/mol. Its IUPAC name is 2,2-difluoropropylurea.

Molecular Properties

Compound Name2,2-difluoropropylurea
PubChem CID123994656
Molecular FormulaC4H8F2N2O
Molecular Weight138.12 g/mol
Exact Mass138.06
IUPAC Name2,2-difluoropropylurea
SMILESCC(F)(F)CNC(N)=O
InChIInChI=1S/C4H8F2N2O/c1-4(5,6)2-8-3(7)9/h2H2,1H3,(H3,7,8,9)
InChIKeyUCMUZAHXMLQXAZ-UHFFFAOYSA-N
XLogP0.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

methyl N-(2,2-difluoropropyl)carbamate
CID 90076527
[1-(carbamoylamino)-2-hydroxypropan-2-yl]urea
CID 87226252
N-(2,2-difluoropropyl)-2-methylpropanamide
CID 130436254
(2-methyl-2-silyloxypropyl)urea
CID 173059861
2-cyano-N-(2,2-difluoropropyl)propanamide
CID 143242049
2,2,2-trichloroethylurea
CID 21321524
propan-2-yl N-(2,2-difluoropropyl)carbamate
CID 139305684
N-[2-(carbamoylamino)ethyl]-2-cyano-2-methylpropanamide
CID 78993885
N-(2,2-difluoropropyl)-3-methyl-3-(2H-tetrazol-5-yl)butanamide
CID 167919523
1-(2,2-difluoropropylamino)propan-2-one
CID 143630072
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708
[3-(butylamino)-2,2-dimethylpropyl]urea
CID 22381207

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropylurea?
The IUPAC name of 2,2-difluoropropylurea (CID 123994656) is 2,2-difluoropropylurea.
What is the SMILES notation for 2,2-difluoropropylurea?
The canonical SMILES for 2,2-difluoropropylurea is CC(F)(F)CNC(N)=O.
What is the InChIKey of 2,2-difluoropropylurea?
The InChIKey is UCMUZAHXMLQXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2N2O/c1-4(5,6)2-8-3(7)9/h2H2,1H3,(H3,7,8,9).
What are the key properties of 2,2-difluoropropylurea?
2,2-difluoropropylurea has a molecular weight of 138.12 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropylurea is sourced from PubChem (CID 123994656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).