[3-(trifluoromethyl)phenyl]urea

C8H7F3N2O — CID 25712

IUPAC[3-(trifluoromethyl)phenyl]urea
SMILESNC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)5-2-1-3-6(4-5)13-7(12)14/h1-4H,(H3,12,13,14)
InChIKeyFQEIBEOBXKJAMZ-UHFFFAOYSA-N
MW204.15 g/mol
LogP2.20
Rot. Bonds1

About [3-(trifluoromethyl)phenyl]urea

[3-(trifluoromethyl)phenyl]urea (PubChem CID 25712) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is [3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name[3-(trifluoromethyl)phenyl]urea
PubChem CID25712
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name[3-(trifluoromethyl)phenyl]urea
SMILESNC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)5-2-1-3-6(4-5)13-7(12)14/h1-4H,(H3,12,13,14)
InChIKeyFQEIBEOBXKJAMZ-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)phenyl]urea?
The IUPAC name of [3-(trifluoromethyl)phenyl]urea (CID 25712) is [3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for [3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for [3-(trifluoromethyl)phenyl]urea is NC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of [3-(trifluoromethyl)phenyl]urea?
The InChIKey is FQEIBEOBXKJAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c9-8(10,11)5-2-1-3-6(4-5)13-7(12)14/h1-4H,(H3,12,13,14).
What are the key properties of [3-(trifluoromethyl)phenyl]urea?
[3-(trifluoromethyl)phenyl]urea has a molecular weight of 204.15 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 25712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).