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

C14H19BFNO4 — CID 175348073

IUPAC[3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl carbamate
SMILESCC1(C)OB(c2c(F)cccc2COC(N)=O)OC1(C)C
InChIInChI=1S/C14H19BFNO4/c1-13(2)14(3,4)21-15(20-13)11-9(8-19-12(17)18)6-5-7-10(11)16/h5-7H,8H2,1-4H3,(H2,17,18)
InChIKeyQEIHOYGYDFMNRY-UHFFFAOYSA-N
MW295.12 g/mol
LogP1.72
Rot. Bonds3

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

[3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl carbamate (PubChem CID 175348073) has the molecular formula C14H19BFNO4 and a molecular weight of 295.12 g/mol. Its IUPAC name is [3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl carbamate.

Molecular Properties

Compound Name[3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl carbamate
PubChem CID175348073
Molecular FormulaC14H19BFNO4
Molecular Weight295.12 g/mol
Exact Mass295.14
IUPAC Name[3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl carbamate
SMILESCC1(C)OB(c2c(F)cccc2COC(N)=O)OC1(C)C
InChIInChI=1S/C14H19BFNO4/c1-13(2)14(3,4)21-15(20-13)11-9(8-19-12(17)18)6-5-7-10(11)16/h5-7H,8H2,1-4H3,(H2,17,18)
InChIKeyQEIHOYGYDFMNRY-UHFFFAOYSA-N
XLogP1.72
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate
CID 86222923
2-(2-ethoxy-6-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 156594171
tert-butyl 4-[3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]butanoate
CID 158191305
2-fluoro-4-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzohydrazide
CID 140653672
2-fluoro-4-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
CID 90408802
tris[3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]bismuthane
CID 138972801
tert-butyl N-[3-[3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl]carbamate
CID 163359286
2-(2-butoxy-6-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164890832
[2-(carbamoyloxymethyl)phenyl]methyl carbamate
CID 23175354
CID 153336553
CID 153336553
methyl 2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CID 67086691
1-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
CID 100913450

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl carbamate?
The IUPAC name of [3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl carbamate (CID 175348073) is [3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl carbamate.
What is the SMILES notation for [3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl carbamate?
The canonical SMILES for [3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl carbamate is CC1(C)OB(c2c(F)cccc2COC(N)=O)OC1(C)C.
What is the InChIKey of [3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl carbamate?
The InChIKey is QEIHOYGYDFMNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BFNO4/c1-13(2)14(3,4)21-15(20-13)11-9(8-19-12(17)18)6-5-7-10(11)16/h5-7H,8H2,1-4H3,(H2,17,18).
What are the key properties of [3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl carbamate?
[3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl carbamate has a molecular weight of 295.12 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl carbamate is sourced from PubChem (CID 175348073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).