1,1,3-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea

C12H15F3N2O — CID 134795218

IUPAC1,1,3-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea
SMILESCN(C)C(=O)N(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O/c1-16(2)11(18)17(3)8-9-5-4-6-10(7-9)12(13,14)15/h4-7H,8H2,1-3H3
InChIKeyKDPCPIDNLRNPRS-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.82
Rot. Bonds2

About 1,1,3-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea

1,1,3-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 134795218) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1,1,3-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea
PubChem CID134795218
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name1,1,3-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea
SMILESCN(C)C(=O)N(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O/c1-16(2)11(18)17(3)8-9-5-4-6-10(7-9)12(13,14)15/h4-7H,8H2,1-3H3
InChIKeyKDPCPIDNLRNPRS-UHFFFAOYSA-N
XLogP2.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1,1,3-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea (CID 134795218) is 1,1,3-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1,1,3-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1,1,3-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea is CN(C)C(=O)N(C)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1,1,3-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is KDPCPIDNLRNPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-16(2)11(18)17(3)8-9-5-4-6-10(7-9)12(13,14)15/h4-7H,8H2,1-3H3.
What are the key properties of 1,1,3-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea?
1,1,3-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 260.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 134795218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).