1,3-dimethyl-1,3-bis(2,2,2-trifluoroethyl)urea

C7H10F6N2O — CID 118289412

IUPAC1,3-dimethyl-1,3-bis(2,2,2-trifluoroethyl)urea
SMILESCN(CC(F)(F)F)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C7H10F6N2O/c1-14(3-6(8,9)10)5(16)15(2)4-7(11,12)13/h3-4H2,1-2H3
InChIKeyPELNOZKPOVWCBU-UHFFFAOYSA-N
MW252.16 g/mol
LogP2.09
Rot. Bonds2

About 1,3-dimethyl-1,3-bis(2,2,2-trifluoroethyl)urea

1,3-dimethyl-1,3-bis(2,2,2-trifluoroethyl)urea (PubChem CID 118289412) has the molecular formula C7H10F6N2O and a molecular weight of 252.16 g/mol. Its IUPAC name is 1,3-dimethyl-1,3-bis(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1,3-dimethyl-1,3-bis(2,2,2-trifluoroethyl)urea
PubChem CID118289412
Molecular FormulaC7H10F6N2O
Molecular Weight252.16 g/mol
Exact Mass252.07
IUPAC Name1,3-dimethyl-1,3-bis(2,2,2-trifluoroethyl)urea
SMILESCN(CC(F)(F)F)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C7H10F6N2O/c1-14(3-6(8,9)10)5(16)15(2)4-7(11,12)13/h3-4H2,1-2H3
InChIKeyPELNOZKPOVWCBU-UHFFFAOYSA-N
XLogP2.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.16
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1,3-bis(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1,3-dimethyl-1,3-bis(2,2,2-trifluoroethyl)urea (CID 118289412) is 1,3-dimethyl-1,3-bis(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1,3-dimethyl-1,3-bis(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1,3-dimethyl-1,3-bis(2,2,2-trifluoroethyl)urea is CN(CC(F)(F)F)C(=O)N(C)CC(F)(F)F.
What is the InChIKey of 1,3-dimethyl-1,3-bis(2,2,2-trifluoroethyl)urea?
The InChIKey is PELNOZKPOVWCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6N2O/c1-14(3-6(8,9)10)5(16)15(2)4-7(11,12)13/h3-4H2,1-2H3.
What are the key properties of 1,3-dimethyl-1,3-bis(2,2,2-trifluoroethyl)urea?
1,3-dimethyl-1,3-bis(2,2,2-trifluoroethyl)urea has a molecular weight of 252.16 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1,3-bis(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 118289412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).