1,1,3-trimethyl-3-(2,2,2-trifluoroethyl)urea

C6H11F3N2O — CID 115629626

IUPAC1,1,3-trimethyl-3-(2,2,2-trifluoroethyl)urea
SMILESCN(C)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-10(2)5(12)11(3)4-6(7,8)9/h4H2,1-3H3
InChIKeyPBZGEGZDSDFYIF-UHFFFAOYSA-N
MW184.16 g/mol
LogP1.16
Rot. Bonds1

About 1,1,3-trimethyl-3-(2,2,2-trifluoroethyl)urea

1,1,3-trimethyl-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115629626) has the molecular formula C6H11F3N2O and a molecular weight of 184.16 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1,1,3-trimethyl-3-(2,2,2-trifluoroethyl)urea
PubChem CID115629626
Molecular FormulaC6H11F3N2O
Molecular Weight184.16 g/mol
Exact Mass184.08
IUPAC Name1,1,3-trimethyl-3-(2,2,2-trifluoroethyl)urea
SMILESCN(C)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-10(2)5(12)11(3)4-6(7,8)9/h4H2,1-3H3
InChIKeyPBZGEGZDSDFYIF-UHFFFAOYSA-N
XLogP1.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.16
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-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1,1,3-trimethyl-3-(2,2,2-trifluoroethyl)urea (CID 115629626) is 1,1,3-trimethyl-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1,1,3-trimethyl-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1,1,3-trimethyl-3-(2,2,2-trifluoroethyl)urea is CN(C)C(=O)N(C)CC(F)(F)F.
What is the InChIKey of 1,1,3-trimethyl-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is PBZGEGZDSDFYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O/c1-10(2)5(12)11(3)4-6(7,8)9/h4H2,1-3H3.
What are the key properties of 1,1,3-trimethyl-3-(2,2,2-trifluoroethyl)urea?
1,1,3-trimethyl-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 184.16 g/mol, XLogP of 1.16, 1 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-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115629626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).