1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(3-hydroxypropyl)urea

C11H12F4N2O2 — CID 60597825

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(3-hydroxypropyl)urea
SMILESO=C(NCCCO)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H12F4N2O2/c12-9-3-2-7(6-8(9)11(13,14)15)17-10(19)16-4-1-5-18/h2-3,6,18H,1,4-5H2,(H2,16,17,19)
InChIKeyTUEDCKFKJQFKER-UHFFFAOYSA-N
MW280.22 g/mol
LogP2.35
Rot. Bonds4

About 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(3-hydroxypropyl)urea

1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(3-hydroxypropyl)urea (PubChem CID 60597825) has the molecular formula C11H12F4N2O2 and a molecular weight of 280.22 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(3-hydroxypropyl)urea
PubChem CID60597825
Molecular FormulaC11H12F4N2O2
Molecular Weight280.22 g/mol
Exact Mass280.08
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(3-hydroxypropyl)urea
SMILESO=C(NCCCO)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H12F4N2O2/c12-9-3-2-7(6-8(9)11(13,14)15)17-10(19)16-4-1-5-18/h2-3,6,18H,1,4-5H2,(H2,16,17,19)
InChIKeyTUEDCKFKJQFKER-UHFFFAOYSA-N
XLogP2.35
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(3-hydroxypropyl)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

propan-2-yl 3-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]propanoate
CID 86856293
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylurea
CID 47456942
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea
CID 66817245
2-chloro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]acetamide
CID 61227663
N-(3-hydroxypropyl)-N'-[4-methyl-3-(trifluoromethyl)phenyl]oxamide
CID 110893263
1-[3-bromo-4-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea
CID 100675837
benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid
CID 174945939
1-(3-hydroxypropyl)-3-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]urea
CID 111437785
3-(tert-butylamino)-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
CID 61229798
N-(2,5-dichlorophenyl)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
CID 60598073
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea
CID 47238015
1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea
CID 110890355

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(3-hydroxypropyl)urea?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(3-hydroxypropyl)urea (CID 60597825) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(3-hydroxypropyl)urea?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(3-hydroxypropyl)urea is O=C(NCCCO)Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(3-hydroxypropyl)urea?
The InChIKey is TUEDCKFKJQFKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O2/c12-9-3-2-7(6-8(9)11(13,14)15)17-10(19)16-4-1-5-18/h2-3,6,18H,1,4-5H2,(H2,16,17,19).
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(3-hydroxypropyl)urea?
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(3-hydroxypropyl)urea has a molecular weight of 280.22 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(3-hydroxypropyl)urea is sourced from PubChem (CID 60597825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).