1-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,N-dimethylmethanamine

C15H23BFNO2 — CID 102291288

IUPAC1-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1c(F)cccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H23BFNO2/c1-14(2)15(3,4)20-16(19-14)12-8-7-9-13(17)11(12)10-18(5)6/h7-9H,10H2,1-6H3
InChIKeyVHPQZKJRRCTVIN-UHFFFAOYSA-N
MW279.16 g/mol
LogP2.19
Rot. Bonds3

About 1-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,N-dimethylmethanamine

1-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,N-dimethylmethanamine (PubChem CID 102291288) has the molecular formula C15H23BFNO2 and a molecular weight of 279.16 g/mol. Its IUPAC name is 1-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,N-dimethylmethanamine
PubChem CID102291288
Molecular FormulaC15H23BFNO2
Molecular Weight279.16 g/mol
Exact Mass279.18
IUPAC Name1-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1c(F)cccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H23BFNO2/c1-14(2)15(3,4)20-16(19-14)12-8-7-9-13(17)11(12)10-18(5)6/h7-9H,10H2,1-6H3
InChIKeyVHPQZKJRRCTVIN-UHFFFAOYSA-N
XLogP2.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

{2-[(Dimethylamino)methyl]phenyl}boronic acid
CID 2734345
(2-(pyrrolidin-1-ylmethyl)phenyl)boronic Acid
CID 11550215
2-(N-Methylaminomethyl)phenylboronic acid, pinacol ester
CID 46739230
2-(N,N-Dimethylaminomethyl)phenylboronic acid, pinacol ester
CID 46739231
2-[4-(Azidomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 46872199
4-Aminomethylphenylboronic acid pinacol ester
CID 2773208
Bis(2-chloroethyl)-methyl-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]azanium bromide
CID 56589514
4-((N,N-Dimethylamino)methyl)phenylboronic acid pinacol ester
CID 3460459
3-(N,N-Dimethylaminomethyl)phenylboronic acid, pinacol ester
CID 3803620
1-Methyl-4-{[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperazine
CID 11023499
(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanamine hydrochloride
CID 16427086
1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanamine hydrochloride
CID 16427088

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,N-dimethylmethanamine (CID 102291288) is 1-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,N-dimethylmethanamine is CN(C)Cc1c(F)cccc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 1-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,N-dimethylmethanamine?
The InChIKey is VHPQZKJRRCTVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BFNO2/c1-14(2)15(3,4)20-16(19-14)12-8-7-9-13(17)11(12)10-18(5)6/h7-9H,10H2,1-6H3.
What are the key properties of 1-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,N-dimethylmethanamine?
1-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,N-dimethylmethanamine has a molecular weight of 279.16 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 102291288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).