1-phenyl-3-(2,2,2-trifluoro-1-hydroxyethyl)urea

C9H9F3N2O2 — CID 15438831

IUPAC1-phenyl-3-(2,2,2-trifluoro-1-hydroxyethyl)urea
SMILESO=C(Nc1ccccc1)NC(O)C(F)(F)F
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)7(15)14-8(16)13-6-4-2-1-3-5-6/h1-5,7,15H,(H2,13,14,16)
InChIKeyWEGNDMPPYZKSIG-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.69
Rot. Bonds2

About 1-phenyl-3-(2,2,2-trifluoro-1-hydroxyethyl)urea

1-phenyl-3-(2,2,2-trifluoro-1-hydroxyethyl)urea (PubChem CID 15438831) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 1-phenyl-3-(2,2,2-trifluoro-1-hydroxyethyl)urea.

Molecular Properties

Compound Name1-phenyl-3-(2,2,2-trifluoro-1-hydroxyethyl)urea
PubChem CID15438831
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name1-phenyl-3-(2,2,2-trifluoro-1-hydroxyethyl)urea
SMILESO=C(Nc1ccccc1)NC(O)C(F)(F)F
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)7(15)14-8(16)13-6-4-2-1-3-5-6/h1-5,7,15H,(H2,13,14,16)
InChIKeyWEGNDMPPYZKSIG-UHFFFAOYSA-N
XLogP1.69
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-phenyl-3-(2,2,2-trifluoro-1-hydroxyethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-but-3-yn-2-yl-3-phenylurea
CID 114419037
1-[(1R)-1-anilino-2,2,2-trichloroethyl]-3-phenylurea
CID 1381267
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
(2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26005525
1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea
CID 108867584
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea
CID 90534946
2-chloro-2-(phenylcarbamoylamino)acetamide
CID 151303607
1-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-3-phenylurea
CID 60603723
1-[(1S)-1-phenylethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 52592652
1-benzhydryl-3-(4-phenylphenyl)urea
CID 108867015
1-(1-aminopropan-2-yl)-3-phenylurea
CID 23364218
1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea
CID 27734199

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2,2,2-trifluoro-1-hydroxyethyl)urea?
The IUPAC name of 1-phenyl-3-(2,2,2-trifluoro-1-hydroxyethyl)urea (CID 15438831) is 1-phenyl-3-(2,2,2-trifluoro-1-hydroxyethyl)urea.
What is the SMILES notation for 1-phenyl-3-(2,2,2-trifluoro-1-hydroxyethyl)urea?
The canonical SMILES for 1-phenyl-3-(2,2,2-trifluoro-1-hydroxyethyl)urea is O=C(Nc1ccccc1)NC(O)C(F)(F)F.
What is the InChIKey of 1-phenyl-3-(2,2,2-trifluoro-1-hydroxyethyl)urea?
The InChIKey is WEGNDMPPYZKSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c10-9(11,12)7(15)14-8(16)13-6-4-2-1-3-5-6/h1-5,7,15H,(H2,13,14,16).
What are the key properties of 1-phenyl-3-(2,2,2-trifluoro-1-hydroxyethyl)urea?
1-phenyl-3-(2,2,2-trifluoro-1-hydroxyethyl)urea has a molecular weight of 234.18 g/mol, XLogP of 1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(2,2,2-trifluoro-1-hydroxyethyl)urea is sourced from PubChem (CID 15438831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).