1-(6-bromonaphthalen-2-yl)-3-(2,2,2-trifluoroethyl)urea

C13H10BrF3N2O — CID 115701817

IUPAC1-(6-bromonaphthalen-2-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C13H10BrF3N2O/c14-10-3-1-9-6-11(4-2-8(9)5-10)19-12(20)18-7-13(15,16)17/h1-6H,7H2,(H2,18,19,20)
InChIKeyRKTSUFYZXXZGJB-UHFFFAOYSA-N
MW347.13 g/mol
LogP4.29
Rot. Bonds2

About 1-(6-bromonaphthalen-2-yl)-3-(2,2,2-trifluoroethyl)urea

1-(6-bromonaphthalen-2-yl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115701817) has the molecular formula C13H10BrF3N2O and a molecular weight of 347.13 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID115701817
Molecular FormulaC13H10BrF3N2O
Molecular Weight347.13 g/mol
Exact Mass345.99
IUPAC Name1-(6-bromonaphthalen-2-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C13H10BrF3N2O/c14-10-3-1-9-6-11(4-2-8(9)5-10)19-12(20)18-7-13(15,16)17/h1-6H,7H2,(H2,18,19,20)
InChIKeyRKTSUFYZXXZGJB-UHFFFAOYSA-N
XLogP4.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.13
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide
CID 115283099
1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 116654301
1-(4-chloro-3-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 113463001
1-(4-hydroxy-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 86795263
1-(3-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115870397
1-(4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 47252527
1-(4-chlorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 94863126
2-[(6-bromonaphthalen-2-yl)carbamoylamino]-2-methylpropanoic acid
CID 81266952
6-bromo-N-(2,2,2-trifluoroethylsulfamoyl)naphthalen-2-amine
CID 114808909
N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide
CID 81260371
1-(2,6-dibromophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 107598645
N-(6-bromonaphthalen-2-yl)-3-methylbutanamide
CID 81259381

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-3-(2,2,2-trifluoroethyl)urea (CID 115701817) is 1-(6-bromonaphthalen-2-yl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is RKTSUFYZXXZGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2O/c14-10-3-1-9-6-11(4-2-8(9)5-10)19-12(20)18-7-13(15,16)17/h1-6H,7H2,(H2,18,19,20).
What are the key properties of 1-(6-bromonaphthalen-2-yl)-3-(2,2,2-trifluoroethyl)urea?
1-(6-bromonaphthalen-2-yl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 347.13 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115701817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).