1-(2-fluorophenyl)-3-methylurea

C8H9FN2O — CID 676515

IUPAC1-(2-fluorophenyl)-3-methylurea
SMILESCNC(=O)Nc1ccccc1F
InChIInChI=1S/C8H9FN2O/c1-10-8(12)11-7-5-3-2-4-6(7)9/h2-5H,1H3,(H2,10,11,12)
InChIKeyKCHHKGGVOQEHPF-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.58
Rot. Bonds1

About 1-(2-fluorophenyl)-3-methylurea

1-(2-fluorophenyl)-3-methylurea (PubChem CID 676515) has the molecular formula C8H9FN2O and a molecular weight of 168.17 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-methylurea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-methylurea
PubChem CID676515
Molecular FormulaC8H9FN2O
Molecular Weight168.17 g/mol
Exact Mass168.07
IUPAC Name1-(2-fluorophenyl)-3-methylurea
SMILESCNC(=O)Nc1ccccc1F
InChIInChI=1S/C8H9FN2O/c1-10-8(12)11-7-5-3-2-4-6(7)9/h2-5H,1H3,(H2,10,11,12)
InChIKeyKCHHKGGVOQEHPF-UHFFFAOYSA-N
XLogP1.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-methylurea?
The IUPAC name of 1-(2-fluorophenyl)-3-methylurea (CID 676515) is 1-(2-fluorophenyl)-3-methylurea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-methylurea?
The canonical SMILES for 1-(2-fluorophenyl)-3-methylurea is CNC(=O)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-methylurea?
The InChIKey is KCHHKGGVOQEHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O/c1-10-8(12)11-7-5-3-2-4-6(7)9/h2-5H,1H3,(H2,10,11,12).
What are the key properties of 1-(2-fluorophenyl)-3-methylurea?
1-(2-fluorophenyl)-3-methylurea has a molecular weight of 168.17 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-methylurea is sourced from PubChem (CID 676515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).