[3-[5-fluoro-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1H-indol-7-yl]-dimethylphosphane

C16H14F4N3OP — CID 167145462

IUPAC[3-[5-fluoro-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1H-indol-7-yl]-dimethylphosphane
SMILESCP(C)c1cccc2c(-c3nc(OCC(F)(F)F)ncc3F)c[nH]c12
InChIInChI=1S/C16H14F4N3OP/c1-25(2)12-5-3-4-9-10(6-21-14(9)12)13-11(17)7-22-15(23-13)24-8-16(18,19)20/h3-7,21H,8H2,1-2H3
InChIKeyALBPPOVTXIYRHN-UHFFFAOYSA-N
MW371.27 g/mol
LogP4.07
Rot. Bonds4

About [3-[5-fluoro-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1H-indol-7-yl]-dimethylphosphane

[3-[5-fluoro-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1H-indol-7-yl]-dimethylphosphane (PubChem CID 167145462) has the molecular formula C16H14F4N3OP and a molecular weight of 371.27 g/mol. Its IUPAC name is [3-[5-fluoro-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1H-indol-7-yl]-dimethylphosphane.

Molecular Properties

Compound Name[3-[5-fluoro-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1H-indol-7-yl]-dimethylphosphane
PubChem CID167145462
Molecular FormulaC16H14F4N3OP
Molecular Weight371.27 g/mol
Exact Mass371.08
IUPAC Name[3-[5-fluoro-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1H-indol-7-yl]-dimethylphosphane
SMILESCP(C)c1cccc2c(-c3nc(OCC(F)(F)F)ncc3F)c[nH]c12
InChIInChI=1S/C16H14F4N3OP/c1-25(2)12-5-3-4-9-10(6-21-14(9)12)13-11(17)7-22-15(23-13)24-8-16(18,19)20/h3-7,21H,8H2,1-2H3
InChIKeyALBPPOVTXIYRHN-UHFFFAOYSA-N
XLogP4.07
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.27
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(7-dimethylphosphanyl-1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]propane-1,3-diol
CID 167145484
7-dimethylphosphoryl-5-methoxy-3-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole
CID 164544656
2-[4-(7-methoxy-1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,3-diamine
CID 175569372
2-[4-(7-methyl-1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,3-diamine
CID 175569427
3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-6-fluoro-7-methylsulfanyl-1H-indole
CID 163214404
1-(7-methyl-1H-indol-3-yl)isoquinoline
CID 118449722
3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole-7-carbonitrile
CID 175858861
3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-methyl-1H-indol-7-amine
CID 167088857
2-(2,2,2-trifluoroethoxy)quinazoline;hydrochloride
CID 141036711
3-(2-chloro-5-fluoropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 167213939
4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrimidine
CID 90379560
6-(7-fluoro-1H-indol-3-yl)pyridin-3-amine
CID 115110491

Frequently Asked Questions

What is the IUPAC name of [3-[5-fluoro-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1H-indol-7-yl]-dimethylphosphane?
The IUPAC name of [3-[5-fluoro-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1H-indol-7-yl]-dimethylphosphane (CID 167145462) is [3-[5-fluoro-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1H-indol-7-yl]-dimethylphosphane.
What is the SMILES notation for [3-[5-fluoro-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1H-indol-7-yl]-dimethylphosphane?
The canonical SMILES for [3-[5-fluoro-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1H-indol-7-yl]-dimethylphosphane is CP(C)c1cccc2c(-c3nc(OCC(F)(F)F)ncc3F)c[nH]c12.
What is the InChIKey of [3-[5-fluoro-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1H-indol-7-yl]-dimethylphosphane?
The InChIKey is ALBPPOVTXIYRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N3OP/c1-25(2)12-5-3-4-9-10(6-21-14(9)12)13-11(17)7-22-15(23-13)24-8-16(18,19)20/h3-7,21H,8H2,1-2H3.
What are the key properties of [3-[5-fluoro-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1H-indol-7-yl]-dimethylphosphane?
[3-[5-fluoro-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1H-indol-7-yl]-dimethylphosphane has a molecular weight of 371.27 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-fluoro-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1H-indol-7-yl]-dimethylphosphane is sourced from PubChem (CID 167145462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).