(2,4-difluorophenyl)urea

C7H6F2N2O — CID 2774225

IUPAC(2,4-difluorophenyl)urea
SMILESNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C7H6F2N2O/c8-4-1-2-6(5(9)3-4)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKeySBBRRSKIPTXBCO-UHFFFAOYSA-N
MW172.13 g/mol
LogP1.46
Rot. Bonds1

About (2,4-difluorophenyl)urea

(2,4-difluorophenyl)urea (PubChem CID 2774225) has the molecular formula C7H6F2N2O and a molecular weight of 172.13 g/mol. Its IUPAC name is (2,4-difluorophenyl)urea.

Molecular Properties

Compound Name(2,4-difluorophenyl)urea
PubChem CID2774225
Molecular FormulaC7H6F2N2O
Molecular Weight172.13 g/mol
Exact Mass172.04
IUPAC Name(2,4-difluorophenyl)urea
SMILESNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C7H6F2N2O/c8-4-1-2-6(5(9)3-4)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKeySBBRRSKIPTXBCO-UHFFFAOYSA-N
XLogP1.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.13
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)urea?
The IUPAC name of (2,4-difluorophenyl)urea (CID 2774225) is (2,4-difluorophenyl)urea.
What is the SMILES notation for (2,4-difluorophenyl)urea?
The canonical SMILES for (2,4-difluorophenyl)urea is NC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)urea?
The InChIKey is SBBRRSKIPTXBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O/c8-4-1-2-6(5(9)3-4)11-7(10)12/h1-3H,(H3,10,11,12).
What are the key properties of (2,4-difluorophenyl)urea?
(2,4-difluorophenyl)urea has a molecular weight of 172.13 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)urea is sourced from PubChem (CID 2774225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).