1-[2-(4-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea

C11H12F4N2O — CID 115575958

IUPAC1-[2-(4-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCCc1ccc(F)cc1)NCC(F)(F)F
InChIInChI=1S/C11H12F4N2O/c12-9-3-1-8(2-4-9)5-6-16-10(18)17-7-11(13,14)15/h1-4H,5-7H2,(H2,16,17,18)
InChIKeyNYTQOHVWWROVBH-UHFFFAOYSA-N
MW264.22 g/mol
LogP2.23
Rot. Bonds4

About 1-[2-(4-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea

1-[2-(4-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115575958) has the molecular formula C11H12F4N2O and a molecular weight of 264.22 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID115575958
Molecular FormulaC11H12F4N2O
Molecular Weight264.22 g/mol
Exact Mass264.09
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCCc1ccc(F)cc1)NCC(F)(F)F
InChIInChI=1S/C11H12F4N2O/c12-9-3-1-8(2-4-9)5-6-16-10(18)17-7-11(13,14)15/h1-4H,5-7H2,(H2,16,17,18)
InChIKeyNYTQOHVWWROVBH-UHFFFAOYSA-N
XLogP2.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 110754997
2-[2-(4-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571284
1-[2-(4-fluorophenyl)ethyl]-3-(methoxymethyl)urea
CID 110675926
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 46555601
1-[2-(4-fluorophenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910401
6-[2-(4-fluorophenyl)ethylcarbamoylamino]hexanoic acid
CID 61182399
1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 51654985
4-[2-(3,3,3-trifluoropropylcarbamoylamino)ethyl]benzoic acid
CID 63227545
1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea
CID 108898570
N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 78770059
1-[2-(4-fluorophenyl)ethyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915195
1-[2-(4-fluorophenyl)ethyl]-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 127267118

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea (CID 115575958) is 1-[2-(4-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCCc1ccc(F)cc1)NCC(F)(F)F.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is NYTQOHVWWROVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O/c12-9-3-1-8(2-4-9)5-6-16-10(18)17-7-11(13,14)15/h1-4H,5-7H2,(H2,16,17,18).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
1-[2-(4-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 264.22 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115575958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).