1-[(4-chlorophenyl)methyl]-3-(2,2,2-trifluoroethyl)urea

C10H10ClF3N2O — CID 822893

IUPAC1-[(4-chlorophenyl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCc1ccc(Cl)cc1)NCC(F)(F)F
InChIInChI=1S/C10H10ClF3N2O/c11-8-3-1-7(2-4-8)5-15-9(17)16-6-10(12,13)14/h1-4H,5-6H2,(H2,15,16,17)
InChIKeyAXNALLWHZGAEEW-UHFFFAOYSA-N
MW266.65 g/mol
LogP2.70
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-3-(2,2,2-trifluoroethyl)urea

1-[(4-chlorophenyl)methyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 822893) has the molecular formula C10H10ClF3N2O and a molecular weight of 266.65 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID822893
Molecular FormulaC10H10ClF3N2O
Molecular Weight266.65 g/mol
Exact Mass266.04
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCc1ccc(Cl)cc1)NCC(F)(F)F
InChIInChI=1S/C10H10ClF3N2O/c11-8-3-1-7(2-4-8)5-15-9(17)16-6-10(12,13)14/h1-4H,5-6H2,(H2,15,16,17)
InChIKeyAXNALLWHZGAEEW-UHFFFAOYSA-N
XLogP2.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(2,2,2-trifluoroethyl)urea (CID 822893) is 1-[(4-chlorophenyl)methyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCc1ccc(Cl)cc1)NCC(F)(F)F.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is AXNALLWHZGAEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O/c11-8-3-1-7(2-4-8)5-15-9(17)16-6-10(12,13)14/h1-4H,5-6H2,(H2,15,16,17).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
1-[(4-chlorophenyl)methyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 266.65 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 822893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).