1,1-dimethyl-3-[4-(trifluoromethyl)phenyl]urea

C10H11F3N2O — CID 2317241

IUPAC1,1-dimethyl-3-[4-(trifluoromethyl)phenyl]urea
SMILESCN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-7(4-6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)
InChIKeyCDHBAZHPEVDWMO-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.80
Rot. Bonds1

About 1,1-dimethyl-3-[4-(trifluoromethyl)phenyl]urea

1,1-dimethyl-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 2317241) has the molecular formula C10H11F3N2O and a molecular weight of 232.21 g/mol. Its IUPAC name is 1,1-dimethyl-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID2317241
Molecular FormulaC10H11F3N2O
Molecular Weight232.21 g/mol
Exact Mass232.08
IUPAC Name1,1-dimethyl-3-[4-(trifluoromethyl)phenyl]urea
SMILESCN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-7(4-6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)
InChIKeyCDHBAZHPEVDWMO-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1,1-dimethyl-3-[4-(trifluoromethyl)phenyl]urea (CID 2317241) is 1,1-dimethyl-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[4-(trifluoromethyl)phenyl]urea is CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1,1-dimethyl-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is CDHBAZHPEVDWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-7(4-6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16).
What are the key properties of 1,1-dimethyl-3-[4-(trifluoromethyl)phenyl]urea?
1,1-dimethyl-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 232.21 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 2317241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).