US8975415, RP14a

C16H16BrF3N2O3 — CID 90056189

IUPAC—
SMILESNC1=NC2(CO1)c1cc(Br)ccc1OC(CCC(F)(F)F)C21COC1
InChIInChI=1S/C16H16BrF3N2O3/c17-9-1-2-11-10(5-9)15(8-24-13(21)22-15)14(6-23-7-14)12(25-11)3-4-16(18,19)20/h1-2,5,12H,3-4,6-8H2,(H2,21,22)
InChIKeyAJTLYZUBENANLT-UHFFFAOYSA-N
MW421.21 g/mol
LogP3.11
Rot. Bonds2

About US8975415, RP14a

US8975415, RP14a (PubChem CID 90056189) has the molecular formula C16H16BrF3N2O3 and a molecular weight of 421.21 g/mol.

Molecular Properties

Compound NameUS8975415, RP14a
PubChem CID90056189
Molecular FormulaC16H16BrF3N2O3
Molecular Weight421.21 g/mol
Exact Mass420.03
IUPAC Name—
SMILESNC1=NC2(CO1)c1cc(Br)ccc1OC(CCC(F)(F)F)C21COC1
InChIInChI=1S/C16H16BrF3N2O3/c17-9-1-2-11-10(5-9)15(8-24-13(21)22-15)14(6-23-7-14)12(25-11)3-4-16(18,19)20/h1-2,5,12H,3-4,6-8H2,(H2,21,22)
InChIKeyAJTLYZUBENANLT-UHFFFAOYSA-N
XLogP3.11
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.21
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of US8975415, RP14a?
The IUPAC name of US8975415, RP14a (CID 90056189) is not available.
What is the SMILES notation for US8975415, RP14a?
The canonical SMILES for US8975415, RP14a is NC1=NC2(CO1)c1cc(Br)ccc1OC(CCC(F)(F)F)C21COC1.
What is the InChIKey of US8975415, RP14a?
The InChIKey is AJTLYZUBENANLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF3N2O3/c17-9-1-2-11-10(5-9)15(8-24-13(21)22-15)14(6-23-7-14)12(25-11)3-4-16(18,19)20/h1-2,5,12H,3-4,6-8H2,(H2,21,22).
What are the key properties of US8975415, RP14a?
US8975415, RP14a has a molecular weight of 421.21 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for US8975415, RP14a is sourced from PubChem (CID 90056189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).