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

C16H23BFNO3 — CID 175593108

IUPAC4-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
SMILESCC1(C)OB(c2ccc(F)c(N3CCOCC3)c2)OC1(C)C
InChIInChI=1S/C16H23BFNO3/c1-15(2)16(3,4)22-17(21-15)12-5-6-13(18)14(11-12)19-7-9-20-10-8-19/h5-6,11H,7-10H2,1-4H3
InChIKeySKQSWCLNSGMLKS-UHFFFAOYSA-N
MW307.17 g/mol
LogP1.96
Rot. Bonds2

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

4-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine (PubChem CID 175593108) has the molecular formula C16H23BFNO3 and a molecular weight of 307.17 g/mol. Its IUPAC name is 4-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine.

Molecular Properties

Compound Name4-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
PubChem CID175593108
Molecular FormulaC16H23BFNO3
Molecular Weight307.17 g/mol
Exact Mass307.18
IUPAC Name4-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
SMILESCC1(C)OB(c2ccc(F)c(N3CCOCC3)c2)OC1(C)C
InChIInChI=1S/C16H23BFNO3/c1-15(2)16(3,4)22-17(21-15)12-5-6-13(18)14(11-12)19-7-9-20-10-8-19/h5-6,11H,7-10H2,1-4H3
InChIKeySKQSWCLNSGMLKS-UHFFFAOYSA-N
XLogP1.96
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine?
The IUPAC name of 4-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine (CID 175593108) is 4-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine.
What is the SMILES notation for 4-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine?
The canonical SMILES for 4-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine is CC1(C)OB(c2ccc(F)c(N3CCOCC3)c2)OC1(C)C.
What is the InChIKey of 4-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine?
The InChIKey is SKQSWCLNSGMLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BFNO3/c1-15(2)16(3,4)22-17(21-15)12-5-6-13(18)14(11-12)19-7-9-20-10-8-19/h5-6,11H,7-10H2,1-4H3.
What are the key properties of 4-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine?
4-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine has a molecular weight of 307.17 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine is sourced from PubChem (CID 175593108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).