1-[1-(4-fluorophenyl)ethyl]-1-hydroxyurea

C9H11FN2O2 — CID 54388887

IUPAC1-[1-(4-fluorophenyl)ethyl]-1-hydroxyurea
SMILESCC(c1ccc(F)cc1)N(O)C(N)=O
InChIInChI=1S/C9H11FN2O2/c1-6(12(14)9(11)13)7-2-4-8(10)5-3-7/h2-6,14H,1H3,(H2,11,13)
InChIKeyVFFCNLQFKWRMPK-UHFFFAOYSA-N
MW198.20 g/mol
LogP1.66
Rot. Bonds2

About 1-[1-(4-fluorophenyl)ethyl]-1-hydroxyurea

1-[1-(4-fluorophenyl)ethyl]-1-hydroxyurea (PubChem CID 54388887) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethyl]-1-hydroxyurea
PubChem CID54388887
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name1-[1-(4-fluorophenyl)ethyl]-1-hydroxyurea
SMILESCC(c1ccc(F)cc1)N(O)C(N)=O
InChIInChI=1S/C9H11FN2O2/c1-6(12(14)9(11)13)7-2-4-8(10)5-3-7/h2-6,14H,1H3,(H2,11,13)
InChIKeyVFFCNLQFKWRMPK-UHFFFAOYSA-N
XLogP1.66
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-N-[1-(4-isobutylphenyl)ethyl]urea
CID 10561814
1-Tert-butyl-3-(alpha-methylbenzyl)urea
CID 306576
N-[1-(1,1''-biphenyl-4-yl)ethyl]-N-hydroxyurea
CID 10538999
N-[1-(4-bromophenyl)ethyl]-N-hydroxyurea
CID 10634989
N-hydroxy-N-[1-(4-methylphenyl)ethyl]urea
CID 10655427
1-Benzyl-1-methylurea
CID 15676016
[(2-Fluorophenyl)-phenylmethyl]urea
CID 2852712
N-hydroxy-N-(1-phenylethyl)urea
CID 10375026
N-hydroxy-N''-[1-(4-isobutylphenyl)ethyl]urea
CID 10847424
4-Fluorobenzylurea
CID 2737289
Urea, (2,6-difluorobenzyl)-
CID 205282
N-(sec-butyl)-N'-(2-fluorobenzyl)urea
CID 2949724

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-1-hydroxyurea?
The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-1-hydroxyurea (CID 54388887) is 1-[1-(4-fluorophenyl)ethyl]-1-hydroxyurea.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethyl]-1-hydroxyurea?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]-1-hydroxyurea is CC(c1ccc(F)cc1)N(O)C(N)=O.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethyl]-1-hydroxyurea?
The InChIKey is VFFCNLQFKWRMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-6(12(14)9(11)13)7-2-4-8(10)5-3-7/h2-6,14H,1H3,(H2,11,13).
What are the key properties of 1-[1-(4-fluorophenyl)ethyl]-1-hydroxyurea?
1-[1-(4-fluorophenyl)ethyl]-1-hydroxyurea has a molecular weight of 198.20 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethyl]-1-hydroxyurea is sourced from PubChem (CID 54388887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).