[2-(2-fluoro-2-methylpropoxy)-5-(4,4,5-trimethyl-5-propyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phosphane

C17H28BFNO3P — CID 174101839

IUPAC[2-(2-fluoro-2-methylpropoxy)-5-(4,4,5-trimethyl-5-propyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phosphane
SMILESCCCC1(C)OB(c2cnc(OCC(C)(C)F)c(P)c2)OC1(C)C
InChIInChI=1S/C17H28BFNO3P/c1-7-8-17(6)16(4,5)22-18(23-17)12-9-13(24)14(20-10-12)21-11-15(2,3)19/h9-10H,7-8,11,24H2,1-6H3
InChIKeyILBCNSWSNUPKDO-UHFFFAOYSA-N
MW355.20 g/mol
LogP2.79
Rot. Bonds6

About [2-(2-fluoro-2-methylpropoxy)-5-(4,4,5-trimethyl-5-propyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phosphane

[2-(2-fluoro-2-methylpropoxy)-5-(4,4,5-trimethyl-5-propyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phosphane (PubChem CID 174101839) has the molecular formula C17H28BFNO3P and a molecular weight of 355.20 g/mol. Its IUPAC name is [2-(2-fluoro-2-methylpropoxy)-5-(4,4,5-trimethyl-5-propyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phosphane.

Molecular Properties

Compound Name[2-(2-fluoro-2-methylpropoxy)-5-(4,4,5-trimethyl-5-propyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phosphane
PubChem CID174101839
Molecular FormulaC17H28BFNO3P
Molecular Weight355.20 g/mol
Exact Mass355.19
IUPAC Name[2-(2-fluoro-2-methylpropoxy)-5-(4,4,5-trimethyl-5-propyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phosphane
SMILESCCCC1(C)OB(c2cnc(OCC(C)(C)F)c(P)c2)OC1(C)C
InChIInChI=1S/C17H28BFNO3P/c1-7-8-17(6)16(4,5)22-18(23-17)12-9-13(24)14(20-10-12)21-11-15(2,3)19/h9-10H,7-8,11,24H2,1-6H3
InChIKeyILBCNSWSNUPKDO-UHFFFAOYSA-N
XLogP2.79
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-difluorobutoxy)-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 174100884
2-(2,2-difluoro-2-iodoethoxy)-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 153370872
(2S)-1-[[3-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 140794468
3-bromo-2-propoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 130114420
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyrimidine
CID 53216765
ethane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyrimidine
CID 170582114
3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine
CID 58042355
3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine
CID 147462562
2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 67982093
ethyl-[[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]imino]-methyl-λ4-sulfane
CID 123568359
2-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylic acid
CID 68647351
N-ethyl-3-(methoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 59619744

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-2-methylpropoxy)-5-(4,4,5-trimethyl-5-propyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phosphane?
The IUPAC name of [2-(2-fluoro-2-methylpropoxy)-5-(4,4,5-trimethyl-5-propyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phosphane (CID 174101839) is [2-(2-fluoro-2-methylpropoxy)-5-(4,4,5-trimethyl-5-propyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phosphane.
What is the SMILES notation for [2-(2-fluoro-2-methylpropoxy)-5-(4,4,5-trimethyl-5-propyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phosphane?
The canonical SMILES for [2-(2-fluoro-2-methylpropoxy)-5-(4,4,5-trimethyl-5-propyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phosphane is CCCC1(C)OB(c2cnc(OCC(C)(C)F)c(P)c2)OC1(C)C.
What is the InChIKey of [2-(2-fluoro-2-methylpropoxy)-5-(4,4,5-trimethyl-5-propyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phosphane?
The InChIKey is ILBCNSWSNUPKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BFNO3P/c1-7-8-17(6)16(4,5)22-18(23-17)12-9-13(24)14(20-10-12)21-11-15(2,3)19/h9-10H,7-8,11,24H2,1-6H3.
What are the key properties of [2-(2-fluoro-2-methylpropoxy)-5-(4,4,5-trimethyl-5-propyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phosphane?
[2-(2-fluoro-2-methylpropoxy)-5-(4,4,5-trimethyl-5-propyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phosphane has a molecular weight of 355.20 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-2-methylpropoxy)-5-(4,4,5-trimethyl-5-propyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phosphane is sourced from PubChem (CID 174101839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).