1-(2-bromophenyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea

C10H7BrF6N2O — CID 71672126

IUPAC1-(2-bromophenyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea
SMILESO=C(Nc1ccccc1Br)NC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H7BrF6N2O/c11-5-3-1-2-4-6(5)18-8(20)19-7(9(12,13)14)10(15,16)17/h1-4,7H,(H2,18,19,20)
InChIKeyNGYHNDFFNLYEPA-UHFFFAOYSA-N
MW365.07 g/mol
LogP4.06
Rot. Bonds2

About 1-(2-bromophenyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea

1-(2-bromophenyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea (PubChem CID 71672126) has the molecular formula C10H7BrF6N2O and a molecular weight of 365.07 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea
PubChem CID71672126
Molecular FormulaC10H7BrF6N2O
Molecular Weight365.07 g/mol
Exact Mass363.96
IUPAC Name1-(2-bromophenyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea
SMILESO=C(Nc1ccccc1Br)NC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H7BrF6N2O/c11-5-3-1-2-4-6(5)18-8(20)19-7(9(12,13)14)10(15,16)17/h1-4,7H,(H2,18,19,20)
InChIKeyNGYHNDFFNLYEPA-UHFFFAOYSA-N
XLogP4.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.07
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea?
The IUPAC name of 1-(2-bromophenyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea (CID 71672126) is 1-(2-bromophenyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea?
The canonical SMILES for 1-(2-bromophenyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea is O=C(Nc1ccccc1Br)NC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(2-bromophenyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea?
The InChIKey is NGYHNDFFNLYEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF6N2O/c11-5-3-1-2-4-6(5)18-8(20)19-7(9(12,13)14)10(15,16)17/h1-4,7H,(H2,18,19,20).
What are the key properties of 1-(2-bromophenyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea?
1-(2-bromophenyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea has a molecular weight of 365.07 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea is sourced from PubChem (CID 71672126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).