2-(5,5-difluoro-1-methyl-2,6,7,8-tetrahydro-1H-naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C17H25BF2O2 — CID 123658778

IUPAC2-(5,5-difluoro-1-methyl-2,6,7,8-tetrahydro-1H-naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1C2=C(C=CC1B1OC(C)(C)C(C)(C)O1)C(F)(F)CCC2
InChIInChI=1S/C17H25BF2O2/c1-11-12-7-6-10-17(19,20)13(12)8-9-14(11)18-21-15(2,3)16(4,5)22-18/h8-9,11,14H,6-7,10H2,1-5H3
InChIKeyBYGFIUSVROIRCJ-UHFFFAOYSA-N
MW310.19 g/mol
LogP4.77
Rot. Bonds1

About 2-(5,5-difluoro-1-methyl-2,6,7,8-tetrahydro-1H-naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(5,5-difluoro-1-methyl-2,6,7,8-tetrahydro-1H-naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 123658778) has the molecular formula C17H25BF2O2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 2-(5,5-difluoro-1-methyl-2,6,7,8-tetrahydro-1H-naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(5,5-difluoro-1-methyl-2,6,7,8-tetrahydro-1H-naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID123658778
Molecular FormulaC17H25BF2O2
Molecular Weight310.19 g/mol
Exact Mass310.19
IUPAC Name2-(5,5-difluoro-1-methyl-2,6,7,8-tetrahydro-1H-naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1C2=C(C=CC1B1OC(C)(C)C(C)(C)O1)C(F)(F)CCC2
InChIInChI=1S/C17H25BF2O2/c1-11-12-7-6-10-17(19,20)13(12)8-9-14(11)18-21-15(2,3)16(4,5)22-18/h8-9,11,14H,6-7,10H2,1-5H3
InChIKeyBYGFIUSVROIRCJ-UHFFFAOYSA-N
XLogP4.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5,5-difluoro-1-methyl-2,6,7,8-tetrahydro-1H-naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 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

1-Methyl-4-(trifluoromethyl)cyclohexene;4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)cyclohexen-1-yl]-1,3,2-dioxaborolane
CID 157980104
2-(8,8-difluoro-4-methyl-4a,5,6,7-tetrahydro-4H-naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164008442
2-[(1R,6E)-1-cyclohexyl-6-ethylidenecyclohexa-2,4-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138968672
2-[(4aS,8aS)-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138969780
2-[(1E,3E)-5-cyclohexyl-4-fluoropenta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102380425
4,4,5-Trimethyl-5-propan-2-yl-2-[1-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethenyl]-1,3,2-dioxaborolane
CID 162614699
4,4,5,5-Tetramethyl-2-(4'-(trifluoromethyl)-[1,1'-bi(cyclohexan)]-3-en-4-yl)-1,3,2-dioxaborolane
CID 170901596
2-(4-Cyclohexa-2,4-dien-1-ylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 68405033
2-[4-(4a,8a-Dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 88544661
2-(3a,11,12,12c-Tetrahydroperylen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 88948533
2-(3,4,8,8a,8b,12a-Hexahydrotriphenylen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123233724
2-(1,2,5,6,8a,12a-Hexahydrobenzo[g]phenanthren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123567481

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-difluoro-1-methyl-2,6,7,8-tetrahydro-1H-naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(5,5-difluoro-1-methyl-2,6,7,8-tetrahydro-1H-naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 123658778) is 2-(5,5-difluoro-1-methyl-2,6,7,8-tetrahydro-1H-naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(5,5-difluoro-1-methyl-2,6,7,8-tetrahydro-1H-naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(5,5-difluoro-1-methyl-2,6,7,8-tetrahydro-1H-naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1C2=C(C=CC1B1OC(C)(C)C(C)(C)O1)C(F)(F)CCC2.
What is the InChIKey of 2-(5,5-difluoro-1-methyl-2,6,7,8-tetrahydro-1H-naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is BYGFIUSVROIRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BF2O2/c1-11-12-7-6-10-17(19,20)13(12)8-9-14(11)18-21-15(2,3)16(4,5)22-18/h8-9,11,14H,6-7,10H2,1-5H3.
What are the key properties of 2-(5,5-difluoro-1-methyl-2,6,7,8-tetrahydro-1H-naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(5,5-difluoro-1-methyl-2,6,7,8-tetrahydro-1H-naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 310.19 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-difluoro-1-methyl-2,6,7,8-tetrahydro-1H-naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 123658778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).