1-[1-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea

C11H12F4N2O — CID 113219964

IUPAC1-[1-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCC(NC(=O)NCC(F)(F)F)c1ccccc1F
InChIInChI=1S/C11H12F4N2O/c1-7(8-4-2-3-5-9(8)12)17-10(18)16-6-11(13,14)15/h2-5,7H,6H2,1H3,(H2,16,17,18)
InChIKeyRTEVEKJVNKWCGV-UHFFFAOYSA-N
MW264.22 g/mol
LogP2.75
Rot. Bonds3

About 1-[1-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea

1-[1-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 113219964) has the molecular formula C11H12F4N2O and a molecular weight of 264.22 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID113219964
Molecular FormulaC11H12F4N2O
Molecular Weight264.22 g/mol
Exact Mass264.09
IUPAC Name1-[1-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCC(NC(=O)NCC(F)(F)F)c1ccccc1F
InChIInChI=1S/C11H12F4N2O/c1-7(8-4-2-3-5-9(8)12)17-10(18)16-6-11(13,14)15/h2-5,7H,6H2,1H3,(H2,16,17,18)
InChIKeyRTEVEKJVNKWCGV-UHFFFAOYSA-N
XLogP2.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[1-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea (CID 113219964) is 1-[1-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[1-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[1-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea is CC(NC(=O)NCC(F)(F)F)c1ccccc1F.
What is the InChIKey of 1-[1-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is RTEVEKJVNKWCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O/c1-7(8-4-2-3-5-9(8)12)17-10(18)16-6-11(13,14)15/h2-5,7H,6H2,1H3,(H2,16,17,18).
What are the key properties of 1-[1-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
1-[1-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 264.22 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 113219964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).