6-[fluoro(phosphanyl)methyl]-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C14H23BFN2O2P — CID 174180367

IUPAC6-[fluoro(phosphanyl)methyl]-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCN(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)P)n1
InChIInChI=1S/C14H23BFN2O2P/c1-13(2)14(3,4)20-15(19-13)9-7-10(12(16)21)17-11(8-9)18(5)6/h7-8,12H,21H2,1-6H3
InChIKeyNJFWVKCAITXXHG-UHFFFAOYSA-N
MW312.13 g/mol
LogP2.29
Rot. Bonds3

About 6-[fluoro(phosphanyl)methyl]-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

6-[fluoro(phosphanyl)methyl]-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 174180367) has the molecular formula C14H23BFN2O2P and a molecular weight of 312.13 g/mol. Its IUPAC name is 6-[fluoro(phosphanyl)methyl]-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-[fluoro(phosphanyl)methyl]-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
PubChem CID174180367
Molecular FormulaC14H23BFN2O2P
Molecular Weight312.13 g/mol
Exact Mass312.16
IUPAC Name6-[fluoro(phosphanyl)methyl]-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCN(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)P)n1
InChIInChI=1S/C14H23BFN2O2P/c1-13(2)14(3,4)20-15(19-13)9-7-10(12(16)21)17-11(8-9)18(5)6/h7-8,12H,21H2,1-6H3
InChIKeyNJFWVKCAITXXHG-UHFFFAOYSA-N
XLogP2.29
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 52.29
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

6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 162342484
[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane
CID 15543911
2-butan-2-yl-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 172645071
N,N-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanamine
CID 172738407
2-(4-fluoro-3,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 56973158
2-(3,5-difluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 131676913
N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine
CID 151093134
3-methoxy-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 20775191
2-[4-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,5-dimethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90049145
7-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 139022780
2-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10762705
4,4,5,5-tetramethyl-2-pyren-2-yl-1,3,2-dioxaborolane
CID 139146026

Frequently Asked Questions

What is the IUPAC name of 6-[fluoro(phosphanyl)methyl]-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The IUPAC name of 6-[fluoro(phosphanyl)methyl]-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 174180367) is 6-[fluoro(phosphanyl)methyl]-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.
What is the SMILES notation for 6-[fluoro(phosphanyl)methyl]-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The canonical SMILES for 6-[fluoro(phosphanyl)methyl]-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CN(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)P)n1.
What is the InChIKey of 6-[fluoro(phosphanyl)methyl]-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The InChIKey is NJFWVKCAITXXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BFN2O2P/c1-13(2)14(3,4)20-15(19-13)9-7-10(12(16)21)17-11(8-9)18(5)6/h7-8,12H,21H2,1-6H3.
What are the key properties of 6-[fluoro(phosphanyl)methyl]-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
6-[fluoro(phosphanyl)methyl]-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 312.13 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[fluoro(phosphanyl)methyl]-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 174180367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).