dipotassium;3-bromoprop-1-yne;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[3-(4-fluorophenoxy)prop-1-ynyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol;4-fluorophenol;1-fluoro-4-prop-2-ynoxybenzene;hydride;methane;oxido formate;uranium — IUPAC name, SMILES, InChIKey & properties

Name: dipotassium;3-bromoprop-1-yne;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[3-(4-fluorophenoxy)prop-1-ynyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol;4-fluorophenol;1-fluoro-4-prop-2-ynoxybenzene;hydride;methane;oxido formate;uranium — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About dipotassium;3-bromoprop-1-yne;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[3-(4-fluorophenoxy)prop-1-ynyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol;4-fluorophenol;1-fluoro-4-prop-2-ynoxybenzene;hydride;methane;oxido formate;uranium

dipotassium;3-bromoprop-1-yne;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[3-(4-fluorophenoxy)prop-1-ynyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol;4-fluorophenol;1-fluoro-4-prop-2-ynoxybenzene;hydride;methane;oxido formate;uranium (PubChem CID 158376127) has the molecular formula C59H47Br2F11K2N10O8U and a molecular weight of 1709.10 g/mol. Its IUPAC name is dipotassium;3-bromoprop-1-yne;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[3-(4-fluorophenoxy)prop-1-ynyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol;4-fluorophenol;1-fluoro-4-prop-2-ynoxybenzene;hydride;methane;oxido formate;uranium.

Molecular Properties

Compound Name	dipotassium;3-bromoprop-1-yne;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[3-(4-fluorophenoxy)prop-1-ynyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol;4-fluorophenol;1-fluoro-4-prop-2-ynoxybenzene;hydride;methane;oxido formate;uranium
PubChem CID	158376127
Molecular Formula	C59H47Br2F11K2N10O8U
Molecular Weight	1709.10 g/mol
Exact Mass	1706.16
IUPAC Name	dipotassium;3-bromoprop-1-yne;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[3-(4-fluorophenoxy)prop-1-ynyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol;4-fluorophenol;1-fluoro-4-prop-2-ynoxybenzene;hydride;methane;oxido formate;uranium
SMILES	C.C#CCBr.C#CCOc1ccc(F)cc1.O=CO[O-].OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1.OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(C#CCOc2ccc(F)cc2)cn1.Oc1ccc(F)cc1.[H-].[K+].[K+].[U]
InChI	InChI=1S/C24H16F5N5O2.C15H10BrF4N5O.C9H7FO.C6H5FO.C3H3Br.CH2O3.CH4.2K.U.H/c25-17-4-7-19(8-5-17)36-11-1-2-16-3-10-22(30-13-16)24(28,29)23(35,14-34-15-31-32-33-34)20-9-6-18(26)12-21(20)27;16-9-1-4-13(21-6-9)15(19,20)14(26,7-25-8-22-23-24-25)11-3-2-10(17)5-12(11)18;1-2-7-11-9-5-3-8(10)4-6-9;7-5-1-3-6(8)4-2-5;1-2-3-4;2-1-4-3;;;;;/h3-10,12-13,15,35H,11,14H2;1-6,8,26H,7H2;1,3-6H,7H2;1-4,8H;1H,3H2;1,3H;1H4;;;;/q;;;;;;;2*+1;;-1/p-1
InChIKey	URWNIKXRPBTFCI-UHFFFAOYSA-M
XLogP	3.96
TPSA	241.49 Å²
H-Bond Donors	3
H-Bond Acceptors	18
Rotatable Bonds	15
Heavy Atoms	93
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1709.10
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze dipotassium;3-bromoprop-1-yne;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[3-(4-fluorophenoxy)prop-1-ynyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol;4-fluorophenol;1-fluoro-4-prop-2-ynoxybenzene;hydride;methane;oxido formate;uranium with MolForge

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Frequently Asked Questions

What is the IUPAC name of dipotassium;3-bromoprop-1-yne;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[3-(4-fluorophenoxy)prop-1-ynyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol;4-fluorophenol;1-fluoro-4-prop-2-ynoxybenzene;hydride;methane;oxido formate;uranium?

The IUPAC name of dipotassium;3-bromoprop-1-yne;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[3-(4-fluorophenoxy)prop-1-ynyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol;4-fluorophenol;1-fluoro-4-prop-2-ynoxybenzene;hydride;methane;oxido formate;uranium (CID 158376127) is dipotassium;3-bromoprop-1-yne;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[3-(4-fluorophenoxy)prop-1-ynyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol;4-fluorophenol;1-fluoro-4-prop-2-ynoxybenzene;hydride;methane;oxido formate;uranium.

What is the SMILES notation for dipotassium;3-bromoprop-1-yne;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[3-(4-fluorophenoxy)prop-1-ynyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol;4-fluorophenol;1-fluoro-4-prop-2-ynoxybenzene;hydride;methane;oxido formate;uranium?

The canonical SMILES for dipotassium;3-bromoprop-1-yne;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[3-(4-fluorophenoxy)prop-1-ynyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol;4-fluorophenol;1-fluoro-4-prop-2-ynoxybenzene;hydride;methane;oxido formate;uranium is C.C#CCBr.C#CCOc1ccc(F)cc1.O=CO[O-].OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1.OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(C#CCOc2ccc(F)cc2)cn1.Oc1ccc(F)cc1.[H-].[K+].[K+].[U].

What is the InChIKey of dipotassium;3-bromoprop-1-yne;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[3-(4-fluorophenoxy)prop-1-ynyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol;4-fluorophenol;1-fluoro-4-prop-2-ynoxybenzene;hydride;methane;oxido formate;uranium?

The InChIKey is URWNIKXRPBTFCI-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H16F5N5O2.C15H10BrF4N5O.C9H7FO.C6H5FO.C3H3Br.CH2O3.CH4.2K.U.H/c25-17-4-7-19(8-5-17)36-11-1-2-16-3-10-22(30-13-16)24(28,29)23(35,14-34-15-31-32-33-34)20-9-6-18(26)12-21(20)27;16-9-1-4-13(21-6-9)15(19,20)14(26,7-25-8-22-23-24-25)11-3-2-10(17)5-12(11)18;1-2-7-11-9-5-3-8(10)4-6-9;7-5-1-3-6(8)4-2-5;1-2-3-4;2-1-4-3;;;;;/h3-10,12-13,15,35H,11,14H2;1-6,8,26H,7H2;1,3-6H,7H2;1-4,8H;1H,3H2;1,3H;1H4;;;;/q;;;;;;;2*+1;;-1/p-1.

What are the key properties of dipotassium;3-bromoprop-1-yne;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[3-(4-fluorophenoxy)prop-1-ynyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol;4-fluorophenol;1-fluoro-4-prop-2-ynoxybenzene;hydride;methane;oxido formate;uranium?

Where does this data come from?

All data for dipotassium;3-bromoprop-1-yne;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[3-(4-fluorophenoxy)prop-1-ynyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol;4-fluorophenol;1-fluoro-4-prop-2-ynoxybenzene;hydride;methane;oxido formate;uranium is sourced from PubChem (CID 158376127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).