1-phenylmethoxy-3-(2,2,2-trifluoroethyl)urea

C10H11F3N2O2 — CID 115582842

IUPAC1-phenylmethoxy-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)NOCc1ccccc1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)7-14-9(16)15-17-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,14,15,16)
InChIKeyVYDYELKXBIPSKH-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.98
Rot. Bonds4

About 1-phenylmethoxy-3-(2,2,2-trifluoroethyl)urea

1-phenylmethoxy-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115582842) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 1-phenylmethoxy-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-phenylmethoxy-3-(2,2,2-trifluoroethyl)urea
PubChem CID115582842
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name1-phenylmethoxy-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)NOCc1ccccc1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)7-14-9(16)15-17-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,14,15,16)
InChIKeyVYDYELKXBIPSKH-UHFFFAOYSA-N
XLogP1.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluorobenzyl)oxy]urea
CID 1484513
1-Benzyloxy-5-fluoruracil
CID 13933660
3-phenyl-N-(2,2,2-trifluoroethyl)oxaziridine-2-carboxamide
CID 146394646
N-ethyl-2,2,2-trifluoro-N-phenylmethoxyacetamide
CID 134886592
Ethyl 2-(3-(2-fluorobenzyloxy) ureido) acetate
CID 139207310
N-benzyloxy-N'-methylurea
CID 14227198
1-Methyl-1-phenylmethoxyurea
CID 130689491
N,N-dimethyl-3-(phenylmethoxycarbamoylamino)propanamide
CID 53587277
1-(2-Methoxyethyl)-1-methyl-3-phenylmethoxyurea
CID 56801236
1-Cyclohexyl-3-[(4-fluorophenyl)methoxy]urea
CID 99821870
benzyl N-(2,2,2-trifluoroethyl)carbamate
CID 21520678
Formamide;1-[[3-(trifluoromethyl)phenyl]methoxy]azetidine
CID 22451530

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-phenylmethoxy-3-(2,2,2-trifluoroethyl)urea (CID 115582842) is 1-phenylmethoxy-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-phenylmethoxy-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-phenylmethoxy-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)NOCc1ccccc1.
What is the InChIKey of 1-phenylmethoxy-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is VYDYELKXBIPSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)7-14-9(16)15-17-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,14,15,16).
What are the key properties of 1-phenylmethoxy-3-(2,2,2-trifluoroethyl)urea?
1-phenylmethoxy-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 248.20 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115582842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).