2-(4,4-difluoro-2,3-dihydrochromen-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H19BF2O3 — CID 162341356

IUPAC2-(4,4-difluoro-2,3-dihydrochromen-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc3c(c2)OCCC3(F)F)OC1(C)C
InChIInChI=1S/C15H19BF2O3/c1-13(2)14(3,4)21-16(20-13)10-5-6-11-12(9-10)19-8-7-15(11,17)18/h5-6,9H,7-8H2,1-4H3
InChIKeyFCJGCMBACKICJE-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.86
Rot. Bonds1

About 2-(4,4-difluoro-2,3-dihydrochromen-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(4,4-difluoro-2,3-dihydrochromen-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 162341356) has the molecular formula C15H19BF2O3 and a molecular weight of 296.12 g/mol. Its IUPAC name is 2-(4,4-difluoro-2,3-dihydrochromen-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(4,4-difluoro-2,3-dihydrochromen-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID162341356
Molecular FormulaC15H19BF2O3
Molecular Weight296.12 g/mol
Exact Mass296.14
IUPAC Name2-(4,4-difluoro-2,3-dihydrochromen-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc3c(c2)OCCC3(F)F)OC1(C)C
InChIInChI=1S/C15H19BF2O3/c1-13(2)14(3,4)21-16(20-13)10-5-6-11-12(9-10)19-8-7-15(11,17)18/h5-6,9H,7-8H2,1-4H3
InChIKeyFCJGCMBACKICJE-UHFFFAOYSA-N
XLogP2.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.86
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

4,4-difluoro-7-methyl-2,3-dihydrochromene
CID 84718817
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrochromen-4-one
CID 121004997
4,4,5,5-tetramethyl-2-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-yl)-1,3,2-dioxaborolane
CID 71528395
2-(1,3-benzodioxol-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane
CID 157382639
4,4,5,5-tetramethyl-2-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)-1,3,2-dioxaborolane
CID 178037002
4,4,5,5-tetramethyl-2-[7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]-1,3,2-dioxaborolane
CID 58793126
8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole
CID 144540920
4,4-difluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoquinolin-1-one
CID 166092819
2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140723688
2-[(3S)-3-ethyl-2,3-dihydro-1-benzofuran-6-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 167398504
4-fluoro-4-methyl-2,3-dihydrochromen-7-amine
CID 84657888
4,4,5,5-tetramethyl-2-[3-(1,2,2-trifluorocyclopropyl)phenyl]-1,3,2-dioxaborolane
CID 154814243

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoro-2,3-dihydrochromen-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(4,4-difluoro-2,3-dihydrochromen-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 162341356) is 2-(4,4-difluoro-2,3-dihydrochromen-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(4,4-difluoro-2,3-dihydrochromen-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(4,4-difluoro-2,3-dihydrochromen-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2ccc3c(c2)OCCC3(F)F)OC1(C)C.
What is the InChIKey of 2-(4,4-difluoro-2,3-dihydrochromen-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is FCJGCMBACKICJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BF2O3/c1-13(2)14(3,4)21-16(20-13)10-5-6-11-12(9-10)19-8-7-15(11,17)18/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 2-(4,4-difluoro-2,3-dihydrochromen-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(4,4-difluoro-2,3-dihydrochromen-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 296.12 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-2,3-dihydrochromen-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 162341356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).