2,3,3-trifluoropropylurea

C4H7F3N2O — CID 22005458

IUPAC2,3,3-trifluoropropylurea
SMILESNC(=O)NCC(F)C(F)F
InChIInChI=1S/C4H7F3N2O/c5-2(3(6)7)1-9-4(8)10/h2-3H,1H2,(H3,8,9,10)
InChIKeyDFYNZIDULIQTGP-UHFFFAOYSA-N
MW156.11 g/mol
LogP0.26
Rot. Bonds3

About 2,3,3-trifluoropropylurea

2,3,3-trifluoropropylurea (PubChem CID 22005458) has the molecular formula C4H7F3N2O and a molecular weight of 156.11 g/mol. Its IUPAC name is 2,3,3-trifluoropropylurea.

Molecular Properties

Compound Name2,3,3-trifluoropropylurea
PubChem CID22005458
Molecular FormulaC4H7F3N2O
Molecular Weight156.11 g/mol
Exact Mass156.05
IUPAC Name2,3,3-trifluoropropylurea
SMILESNC(=O)NCC(F)C(F)F
InChIInChI=1S/C4H7F3N2O/c5-2(3(6)7)1-9-4(8)10/h2-3H,1H2,(H3,8,9,10)
InChIKeyDFYNZIDULIQTGP-UHFFFAOYSA-N
XLogP0.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.11
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trifluoropropylurea?
The IUPAC name of 2,3,3-trifluoropropylurea (CID 22005458) is 2,3,3-trifluoropropylurea.
What is the SMILES notation for 2,3,3-trifluoropropylurea?
The canonical SMILES for 2,3,3-trifluoropropylurea is NC(=O)NCC(F)C(F)F.
What is the InChIKey of 2,3,3-trifluoropropylurea?
The InChIKey is DFYNZIDULIQTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N2O/c5-2(3(6)7)1-9-4(8)10/h2-3H,1H2,(H3,8,9,10).
What are the key properties of 2,3,3-trifluoropropylurea?
2,3,3-trifluoropropylurea has a molecular weight of 156.11 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trifluoropropylurea is sourced from PubChem (CID 22005458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).