1-(2,5-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)urea

C9H7Cl2F3N2O2 — CID 112700262

IUPAC1-(2,5-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)urea
SMILESO=C(NOCC(F)(F)F)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H7Cl2F3N2O2/c10-5-1-2-6(11)7(3-5)15-8(17)16-18-4-9(12,13)14/h1-3H,4H2,(H2,15,16,17)
InChIKeyBWUNPNWIICFOJM-UHFFFAOYSA-N
MW303.07 g/mol
LogP3.61
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)urea

1-(2,5-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)urea (PubChem CID 112700262) has the molecular formula C9H7Cl2F3N2O2 and a molecular weight of 303.07 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)urea
PubChem CID112700262
Molecular FormulaC9H7Cl2F3N2O2
Molecular Weight303.07 g/mol
Exact Mass301.98
IUPAC Name1-(2,5-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)urea
SMILESO=C(NOCC(F)(F)F)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H7Cl2F3N2O2/c10-5-1-2-6(11)7(3-5)15-8(17)16-18-4-9(12,13)14/h1-3H,4H2,(H2,15,16,17)
InChIKeyBWUNPNWIICFOJM-UHFFFAOYSA-N
XLogP3.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.07
LogP ≤ 53.61
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

1-(2,5-dichlorophenyl)-3-(2-methoxyethoxy)urea
CID 113249966
1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea
CID 75369271
2,4-dichloro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340977
1-amino-3-(2,5-dichlorophenyl)-1-(2,2,2-trifluoroethyl)urea
CID 134109501
2,2,2-trifluoroethyl N-(2-bromo-5-chlorophenyl)carbamate
CID 81271801
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide
CID 43145991
1-(2,5-dichlorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108886224
1-(2,2,2-trifluoroethoxy)-3-[4-(trifluoromethyl)phenyl]urea
CID 115712424
1-[2-(aminomethyl)phenyl]-3-(2,5-dichlorophenyl)urea
CID 64895840
3-chloro-4-fluoro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81435190
(2-amino-2-ethylbutyl) N-(2,5-dichlorophenyl)carbamate
CID 79337552
1-(2,5-dichlorophenyl)-3-(1,3-dihydroxypropan-2-yl)urea
CID 65313053

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)urea (CID 112700262) is 1-(2,5-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)urea is O=C(NOCC(F)(F)F)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)urea?
The InChIKey is BWUNPNWIICFOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2F3N2O2/c10-5-1-2-6(11)7(3-5)15-8(17)16-18-4-9(12,13)14/h1-3H,4H2,(H2,15,16,17).
What are the key properties of 1-(2,5-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)urea?
1-(2,5-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)urea has a molecular weight of 303.07 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)urea is sourced from PubChem (CID 112700262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).